4-ethoxy-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-ethoxy-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-ethoxy-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-2045 |
| Compound Name: | 4-ethoxy-N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | CCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8685 |
| logD: | 5.8682 |
| logSw: | -5.4224 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.412 |
| InChI Key: | MGKIAIULEHSBSA-UHFFFAOYSA-N |