N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 6423-0589 |
| Compound Name: | N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 424.92 |
| Molecular Formula: | C18 H17 Cl N2 O4 S2 |
| Smiles: | C(CSCc1cccc(c1)[Cl])NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2952 |
| logD: | 2.2952 |
| logSw: | -3.5711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.497 |
| InChI Key: | APXMDGJYDRDDBY-UHFFFAOYSA-N |