Chemical ID: 4156430

CC(C)(C)c1ccc(cc1)OCCCC(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)C
Chemical ID:
4156430
Name [?]:
N-(6-methylsulfonylbenzothiazol-2-yl)-4-(4-tert-butylphenoxy)-butanamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCCC(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N2O4S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.2424
Area:695.994
Solvation:-6.15749
Coulombic:-35.0535
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:446.585
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.44
LogP (Chemaxon):4.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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