Chemical ID: 6277883

CC(C)(C)c1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)Br)CC(=O)OC
Chemical ID:
6277883
Name [?]:
methyl 2-[6-bromo-2-(4-tert-butylbenzoyl)imino-benzothiazol-3-yl]acetate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)Br)CC(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21BrN2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9332
Area:604.998
Solvation:-3.19175
Coulombic:-44.3363
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:461.373
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.16
LogP (Chemaxon):6.61

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue