N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
Compound characteristics
Compound ID: | D336-2286 |
Compound Name: | N-(2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide |
Molecular Weight: | 419.95 |
Molecular Formula: | C19 H18 Cl N3 O2 S2 |
Smiles: | CC(C)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5306 |
logD: | 4.5305 |
logSw: | -4.3835 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.863 |
InChI Key: | NDCQAQTVFKHTPX-UHFFFAOYSA-N |