N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
Compound characteristics
| Compound ID: | D336-2570 |
| Compound Name: | N-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | CC(C)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5463 |
| logD: | 4.5463 |
| logSw: | -4.3963 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.104 |
| InChI Key: | BMRYMLAGHCUPEW-UHFFFAOYSA-N |