Chemical ID: 4155312

CC1CCc2c(sc(c2C#N)NC(=O)C=Cc3ccc(c(c3)OC)OCc4ccccc4)C1
Chemical ID:
4155312
Name [?]:
3-(4-benzyloxy-3-methoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-prop-2-enamide
SMILES [?]:
CC1CCc2c(sc(c2C#N)NC(=O)C=Cc3ccc(c(c3)OC)OCc4ccccc4)C1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N2O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.393
Area:708.593
Solvation:-6.32185
Coulombic:-40.7159
Bond Count [?]
All:36
Single:25
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:458.573
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.92
LogP (Chemaxon):5.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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