Chemical ID: 6877447

CCCCOc1ccc(cc1)C=C(C#N)C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)OCC
Chemical ID:
6877447
Name [?]:
ethyl 2-[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCCCOc1ccc(cc1)C=C(C#N)C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H36N2O4S
All Atoms:72
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:15.9101
Area:805.294
Solvation:-4.22223
Coulombic:-54.0471
Bond Count [?]
All:38
Single:29
Double:8
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:508.673
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.66
LogP (Chemaxon):6.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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