Chemical ID: 4279629

COc1ccc(cc1)NC(=O)CSc2c(cc3c(n2)CCC3)C#N
Chemical ID:
4279629
Name [?]:
2-[(3-cyano-5-azabicyclo[4.3.0]nona-2,4,10-trien-4-yl)sulfanyl]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CSc2c(cc3c(n2)CCC3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.70777
Area:558.178
Solvation:-4.24669
Coulombic:-35.6062
Bond Count [?]
All:26
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.413
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.06
LogP (Chemaxon):3.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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