Chemical ID: 3845464

CC1CCCCN1C(=O)CSc2nnc(n2Cc3ccccc3)Cc4ccccc4
Chemical ID:
3845464
Name [?]:
2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1-piperidyl)-ethanone
SMILES [?]:
CC1CCCCN1C(=O)CSc2nnc(n2Cc3ccccc3)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H28N4OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.1174
Area:648.441
Solvation:-3.09358
Coulombic:-30.5954
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:420.571
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.95
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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