Chemical ID: 4414627

CC1=C(C(n2c(=O)c(=Cc3ccc(cc3)C(=O)OC)sc2=N1)c4cccs4)C(=O)OC(C)C
Chemical ID:
4414627
Name [?]:
isopropyl 8-[(4-methoxycarbonylphenyl)methylene]-4-methyl-9-oxo-2-(2-thienyl)-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
SMILES [?]:
CC1=C(C(n2c(=O)c(=Cc3ccc(cc3)C(=O)OC)sc2=N1)c4cccs4)C(=O)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H22N2O5S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.3869
Area:669.889
Solvation:-3.36037
Coulombic:-64.2763
Bond Count [?]
All:36
Single:25
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:482.574
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.12
LogP (Chemaxon):3.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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