CAS
909662-41-5 Purity
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909662-41-5 Purity
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1-Benzyl-4-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepane
CAS
909666-37-1
Catalog Number
ACM909666371
Category
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What is the molecular formula of 1-Benzyl-4-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepane?
The molecular formula is C19H22F3N3.
When was 1-Benzyl-4-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepane created?
It was created on February 29, 2008.
What is the computed molecular weight of the compound?
The molecular weight is 349.4 g/mol.
How many hydrogen bond donor counts are there in the compound?
There are 0 hydrogen bond donor counts.
What is the canonical SMILES representation of the compound?
C1CN(CCN(C1)CC2=CN=C(C=C2)C(F)(F)F)CC3=CC=CC=C3
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
How many hydrogen bond acceptor counts are there in the compound?
There are 6 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 19.4 Å^2.
How many rotatable bond counts are there in the compound?
There are 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
909666-31-5 Purity
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909666-31-5 Purity
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