Chemical ID: 4294130

CC1=C(C(n2c(=O)c(=CC=Cc3ccccc3)sc2=N1)c4ccccc4)C(=O)OC
Chemical ID:
4294130
Name [?]:
methyl 8-cinnamylidene-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(=CC=Cc3ccccc3)sc2=N1)c4ccccc4)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H20N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.6904
Area:612.067
Solvation:-2.61123
Coulombic:-46.6871
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:416.493
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.72
LogP (Chemaxon):4.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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