Chemical ID: 4274215

CCOC(=O)c1c2c(sc1NC(=O)C=Cc3ccc(cc3)OC)CCCC2
Chemical ID:
4274215
Name [?]:
ethyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)C=Cc3ccc(cc3)OC)CCCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23NO4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4908
Area:602.314
Solvation:-4.56703
Coulombic:-48.0631
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:385.478
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.69
LogP (Chemaxon):4.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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