N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 6415-1438 |
| Compound Name: | N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C18 H18 N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)SCCNC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8216 |
| logD: | 1.8216 |
| logSw: | -2.8038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.497 |
| InChI Key: | KCLMKEIECGCIDX-UHFFFAOYSA-N |