Chemical ID: 6319146

CC(C)(C)C1CCc2c(sc(c2C(=O)NCC=C)NC(=O)c3ccccc3)C1
Chemical ID:
6319146
Name [?]:
N-allyl-2-benzamido-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CC(C)(C)C1CCc2c(sc(c2C(=O)NCC=C)NC(=O)c3ccccc3)C1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H28N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.2668
Area:635.973
Solvation:-2.63253
Coulombic:-47.1954
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.547
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.35
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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