Chemical ID: 4152726

CC1CCc2c(sc(c2C#N)NC(=O)c3cc(c(c(c3Br)OC)OC)OC)C1
Chemical ID:
4152726
Name [?]:
2-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,4,5-trimethoxy-benzamide
SMILES [?]:
CC1CCc2c(sc(c2C#N)NC(=O)c3cc(c(c(c3Br)OC)OC)OC)C1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrN2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.02251
Area:607.661
Solvation:-6.16902
Coulombic:-45.5706
Bond Count [?]
All:30
Single:23
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:465.362
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.51
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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