Chemical ID: 4127574

CN(C)c1ccc(cc1)C=c2c(=O)n3c(s2)nc(n3)c4ccccc4
Chemical ID:
4127574
Name [?]:
7-[(4-dimethylaminophenyl)methylene]-3-phenyl-6-thia-1,2,4-triazabicyclo[3.3.0]octa-2,4-dien-8-one
SMILES [?]:
CN(C)c1ccc(cc1)C=c2c(=O)n3c(s2)nc(n3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16N4OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3319
Area:554.665
Solvation:-2.53473
Coulombic:-31.9668
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:348.423
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.06
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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