Chemical ID: 4294729

CC1=C(C(n2c(=O)c(=Cc3ccc(cc3)N(C)C)sc2=N1)c4ccccc4)C(=O)OC
Chemical ID:
4294729
Name [?]:
methyl 8-[(4-dimethylaminophenyl)methylene]-4-methyl-9-oxo-2-phenyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
SMILES [?]:
CC1=C(C(n2c(=O)c(=Cc3ccc(cc3)N(C)C)sc2=N1)c4ccccc4)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H23N3O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.2867
Area:624.432
Solvation:-3.32412
Coulombic:-50.4554
Bond Count [?]
All:34
Single:23
Double:11
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:433.524
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.44
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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