CAS
90197-83-4 Purity
96%
90197-83-4 Purity
96%
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3-Isoquinolinecarboxamide,N-(2,3-dihydroimidazo[2,1-b]benzothiazol-6-yl)-1,2-dihydro-1-oxo-
CAS
902014-24-8
Catalog Number
ACM902014248
Category
Other Products
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What is the molecular formula of the compound?
The molecular formula of the compound is C19H14N4O2S.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-1-oxo-2H-isoquinoline-3-carboxamide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C19H14N4O2S/c24-17-13-4-2-1-3-11(13)9-14(22-17)18(25)21-12-5-6-16-15(10-12)23-8-7-20-19(23)26-16/h1-6,9-10H,7-8H2,(H,21,25)(H,22,24).
What is the InChIKey of the compound?
The InChIKey of the compound is RPKWAIFDCGLTCY-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CN2C3=C(C=CC(=C3)NC(=O)C4=CC5=CC=CC=C5C(=O)N4)SC2=N1.
What is the molecular weight of the compound?
The molecular weight of the compound is 362.4 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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