1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-chlorophenyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-chlorophenyl)piperidine-4-carboxamide
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-chlorophenyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F863-0720 |
| Compound Name: | 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-chlorophenyl)piperidine-4-carboxamide |
| Molecular Weight: | 513.96 |
| Molecular Formula: | C23 H20 Cl N5 O5 S |
| Smiles: | C1CN(CCC1C(Nc1cccc(c1)[Cl])=O)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1705 |
| logD: | 3.1558 |
| logSw: | -3.5759 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.689 |
| InChI Key: | CERNQTRCUYYQLG-UHFFFAOYSA-N |