CAS
909682-74-2 Purity
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909682-74-2 Purity
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![N-(1-([6-(Trifluoromethyl)pyridin-3-yl]methyl)piperidin-4-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide](https://resource.alfa-chemistry.com/structure/909685-18-3.gif)
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1-(2-Phenoxyethyl)-4-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one
CAS
909690-83-1
Catalog Number
ACM909690831
Category
Other Products
Molecular Weight
393.4027896
Molecular Formula
C20H22F3N3O2
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Specification
Synonyms
1-(2-PHENOXYETHYL)-4-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)-1,4-DIAZEPAN-5-ONE
What is the molecular weight of the compound with CID 24733284?
The molecular weight is 393.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(2-phenoxyethyl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,4-diazepan-5-one.
What is the InChI of the compound?
The InChI is InChI=1S/C20H22F3N3O2/c21-20(22,23)18-7-6-16(14-24-18)15-26-11-10-25(9-8-19(26)27)12-13-28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2.
What is the InChIKey of the compound?
The InChIKey is GXGVUOUHGNPMPU-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1CN(CCN(C1=O)CC2=CN=C(C=C2)C(F)(F)F)CCOC3=CC=CC=C3.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.5.
What is the topological polar surface area of the compound?
The topological polar surface area is 45.7 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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