Chemical ID: 6770089

CCC(C)COC(=O)c1c(c2c(s1)ncn(c2=O)Cc3ccccc3Cl)C
Chemical ID:
6770089
Name [?]:
2-methylbutyl 3-[(2-chlorophenyl)methyl]-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCC(C)COC(=O)c1c(c2c(s1)ncn(c2=O)Cc3ccccc3Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21ClN2O3S
All Atoms:48
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.9245
Area:608.632
Solvation:-2.29131
Coulombic:-44.6834
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.911
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):4.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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