Chemical ID: 4440576

CCOc1ccc(cc1)C2C(=C(N=c3n2c(=O)c(=CC=Cc4ccccc4)s3)C)C(=O)OC
Chemical ID:
4440576
Name [?]:
methyl 8-cinnamylidene-5-(4-ethoxyphenyl)-3-methyl-7-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3-diene-4-carboxylate
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(N=c3n2c(=O)c(=CC=Cc4ccccc4)s3)C)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H24N2O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.086
Area:675.376
Solvation:-3.79839
Coulombic:-53.2665
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:460.546
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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