Chemical ID: 6586928

CCn1c2ccc(cc2nc1SC(=O)c3ccc(cc3)C)C(=O)OCC
Chemical ID:
6586928
Name [?]:
ethyl 1-ethyl-2-(4-methylbenzoyl)sulfanyl-benzoimidazole-5-carboxylate
SMILES [?]:
CCn1c2ccc(cc2nc1SC(=O)c3ccc(cc3)C)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7278
Area:595.387
Solvation:-3.15689
Coulombic:-42.9419
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):5.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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