Chemical ID: 4157049

CCCOc1ccc(cc1)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C(=O)N
Chemical ID:
4157049
Name [?]:
6-methyl-2-[3-(4-propoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CCCOc1ccc(cc1)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.2513
Area:624.634
Solvation:-4.36457
Coulombic:-55.1883
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:398.52
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.5
LogP (Chemaxon):4.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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