1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F864-0780 |
| Compound Name: | 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[3-(pyrrolidin-1-yl)propyl]piperidine-3-carboxamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C24 H30 N6 O5 S |
| Smiles: | C1CCN(C1)CCCNC(C1CCCN(C1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3741 |
| logD: | -1.7164 |
| logSw: | -2.4122 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.134 |
| InChI Key: | DAJIMAMBBPDEBO-INIZCTEOSA-N |