N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide
Compound characteristics
| Compound ID: | D336-1909 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylpropanamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C24 H21 N3 O2 S2 |
| Smiles: | C(Cc1ccccc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3239 |
| logD: | 5.3238 |
| logSw: | -5.6109 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.076 |
| InChI Key: | BKYMUOGVVIXOOQ-UHFFFAOYSA-N |