Chemical ID: 6319229

CC(C)(C)C1CCc2c(sc(c2C(=O)N(CC=C)CC=C)NC(=O)c3ccc(cc3)Br)C1
Chemical ID:
6319229
Name [?]:
N,N-diallyl-2-(4-bromobenzoyl)amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CC(C)(C)C1CCc2c(sc(c2C(=O)N(CC=C)CC=C)NC(=O)c3ccc(cc3)Br)C1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H31BrN2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:14.874
Area:702.184
Solvation:-2.68063
Coulombic:-44.1882
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:515.507
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.91
LogP (Chemaxon):7.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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