N-(2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-(2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
N-(2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | 3706-0495 |
| Compound Name: | N-(2-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 419.95 |
| Molecular Formula: | C19 H18 Cl N3 O2 S2 |
| Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8249 |
| logD: | 4.8247 |
| logSw: | -4.8422 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.649 |
| InChI Key: | UMNFYTGMGFUEEN-UHFFFAOYSA-N |