1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F864-0781 |
| Compound Name: | 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-3-carboxamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C23 H28 N6 O5 S |
| Smiles: | C1CCN(C1)CCNC(C1CCCN(C1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2509 |
| logD: | -0.9896 |
| logSw: | -2.4004 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.134 |
| InChI Key: | OVOHTVMRCOYTTR-HNNXBMFYSA-N |