Chemical ID: 4191484

COc1ccc(cc1)NC(=O)CSc2c(cc3c(n2)CCCCC3)C#N
Chemical ID:
4191484
Name [?]:
2-[(10-cyano-8-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)sulfanyl]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CSc2c(cc3c(n2)CCCCC3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5479
Area:590.502
Solvation:-4.21464
Coulombic:-36.2576
Bond Count [?]
All:28
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.466
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.2
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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