Chemical ID: 4109275

CCCOc1ccc(cc1OC)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C(=O)OCC
Chemical ID:
4109275
Name [?]:
ethyl 2-[3-(3-methoxy-4-propoxy-phenyl)prop-2-enoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCCOc1ccc(cc1OC)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H31NO5S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.5186
Area:716.569
Solvation:-6.39566
Coulombic:-55.559
Bond Count [?]
All:34
Single:26
Double:8
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:457.583
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.62
LogP (Chemaxon):5.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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