Chemical ID: 4656880

CN(C)c1ccc(cc1)C=C(C#N)C(=O)Nc2c(c3c(s2)CCCC3)C(=O)N
Chemical ID:
4656880
Name [?]:
2-[2-cyano-3-(4-dimethylaminophenyl)-prop-2-enoyl]amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CN(C)c1ccc(cc1)C=C(C#N)C(=O)Nc2c(c3c(s2)CCCC3)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8361
Area:618.201
Solvation:-3.61889
Coulombic:-56.8655
Bond Count [?]
All:30
Single:21
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:394.491
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.94
LogP (Chemaxon):3.52

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Experimental Annotations

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Descriptor Annotations

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