N-(2-{[(3-methylphenyl)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-methylphenyl)methyl]sulfanyl}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D034-0223 |
| Compound Name: | N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C19 H20 N2 O4 S2 |
| Smiles: | Cc1cccc(CSCCNC(CN2C(c3ccccc3S2(=O)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2863 |
| logD: | 2.2863 |
| logSw: | -3.0226 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.497 |
| InChI Key: | NJONKHXYPOKLTK-UHFFFAOYSA-N |