Chemical ID: 6389511

CCOC(=O)c1c2c(sc1NC(=O)C=Cc3ccc(cc3)OC)CC(CC2)C(C)(C)C
Chemical ID:
6389511
Name [?]:
ethyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)C=Cc3ccc(cc3)OC)CC(CC2)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H31NO4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.4349
Area:680.099
Solvation:-4.56763
Coulombic:-49.1362
Bond Count [?]
All:33
Single:25
Double:8
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:441.584
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.88
LogP (Chemaxon):5.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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