Chemical ID: 5187169

CCn1cnc2c(c1=O)c(c(s2)C)c3ccc(c(c3)C)C
Chemical ID:
5187169
Name [?]:
7-(3,4-dimethylphenyl)-4-ethyl-8-methyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CCn1cnc2c(c1=O)c(c(s2)C)c3ccc(c(c3)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H18N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1163
Area:478.997
Solvation:-1.85857
Coulombic:-23.1314
Bond Count [?]
All:23
Single:16
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.404
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.19
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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