4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-chlorophenyl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-chlorophenyl)piperidine-1-carboxamide
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-chlorophenyl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | L077-0691 |
| Compound Name: | 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-chlorophenyl)piperidine-1-carboxamide |
| Molecular Weight: | 485.95 |
| Molecular Formula: | C22 H20 Cl N5 O4 S |
| Smiles: | C1CN(CCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9023 |
| logD: | 3.9014 |
| logSw: | -4.5544 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.147 |
| InChI Key: | JAEYKEYNTCXIEU-UHFFFAOYSA-N |