N-(2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
N-(2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
Compound characteristics
Compound ID: | D336-2795 |
Compound Name: | N-(2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide |
Molecular Weight: | 477.6 |
Molecular Formula: | C25 H23 N3 O3 S2 |
Smiles: | Cc1ccc(cc1C)NC(CSc1nc2ccc(cc2s1)NC(COc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.1328 |
logD: | 6.1327 |
logSw: | -5.3827 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.575 |
InChI Key: | NGAHZLBLGHGOGQ-UHFFFAOYSA-N |