Chemical ID: 4090881

CCCCCOc1ccc(cc1OC)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C(=O)OCC
Chemical ID:
4090881
Name [?]:
ethyl 2-[3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCCCCOc1ccc(cc1OC)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H35NO5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.8603
Area:768.897
Solvation:-6.36217
Coulombic:-56.187
Bond Count [?]
All:36
Single:28
Double:8
Rotors:13
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:485.637
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.76
LogP (Chemaxon):6.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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