Chemical ID: 3978672

Cc1ccccc1C2C3C(C(=O)N(C3=O)c4ccc(c(c4)Cl)C)C(N2)(C)C(=O)O
Chemical ID:
3978672
Name [?]:
3-(3-chloro-4-methyl-phenyl)-6-methyl-8-(o-tolyl)-2,4-dioxo-3,7-diazabicyclo[3.3.0]octane-6-carboxylic acid
SMILES [?]:
Cc1ccccc1C2C3C(C(=O)N(C3=O)c4ccc(c(c4)Cl)C)C(N2)(C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21ClN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:4
ZAP Information [?]
Total:10.6272
Area:593.112
Solvation:-4.20063
Coulombic:-59.5089
Bond Count [?]
All:32
Single:23
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:412.866
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.58
LogP (Chemaxon):1.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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