N-(4-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide
N-(4-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G795-0057 |
| Compound Name: | N-(4-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CCCSCCCNC(c1ccc(cc1)NC(c1c2ccccc2sn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1278 |
| logD: | 4.1277 |
| logSw: | -4.0469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.846 |
| InChI Key: | DMEPIIRMHMZLMZ-UHFFFAOYSA-N |