1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-3-carboxamide
Chemical Structure Depiction of
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-3-carboxamide
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F864-0752 |
| Compound Name: | 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3-methylbutyl)piperidine-3-carboxamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C22 H27 N5 O5 S |
| Smiles: | CC(C)CCNC(C1CCCN(C1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4624 |
| logD: | 2.4477 |
| logSw: | -3.0382 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.057 |
| InChI Key: | XMINOAGNXTUTAF-AWEZNQCLSA-N |