Chemical ID: 4828977

CCCCCOc1ccc(cc1)C=C(C#N)C(=O)Nc2c(c3c(s2)CCCC3)C(=O)OCC
Chemical ID:
4828977
Name [?]:
ethyl 2-[2-cyano-3-(4-pentoxyphenyl)-prop-2-enoyl]amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCCCCOc1ccc(cc1)C=C(C#N)C(=O)Nc2c(c3c(s2)CCCC3)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H30N2O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.536
Area:750.577
Solvation:-4.22843
Coulombic:-53.2782
Bond Count [?]
All:35
Single:26
Double:8
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:466.593
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.04
LogP (Chemaxon):5.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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