Chemical ID: 4374912

CC(C)(C)C1CCc2c(sc(c2C(=O)NCCO)NC(=O)c3cccc(c3)Cl)C1
Chemical ID:
4374912
Name [?]:
2-(3-chlorobenzoyl)amino-N-(2-hydroxyethyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CC(C)(C)C1CCc2c(sc(c2C(=O)NCCO)NC(=O)c3cccc(c3)Cl)C1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H27ClN2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.6862
Area:664.739
Solvation:-3.93226
Coulombic:-61.5132
Bond Count [?]
All:31
Single:24
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:434.98
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.65
LogP (Chemaxon):4.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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