Chemical ID: 4152807

CCOc1ccc(cc1)C=CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)OCC
Chemical ID:
4152807
Name [?]:
ethyl 2-[3-(4-ethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCOc1ccc(cc1)C=CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25NO4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4186
Area:630.615
Solvation:-4.34677
Coulombic:-48.4911
Bond Count [?]
All:30
Single:22
Double:8
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:399.504
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.11
LogP (Chemaxon):4.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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