5-[3-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazole-2-carboxamide
5-[3-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F864-0739 |
| Compound Name: | 5-[3-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Smiles: | C1CCCN(CC1)C(C1CCCN(C1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.551 |
| logD: | 2.5362 |
| logSw: | -3.0625 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.51 |
| InChI Key: | IYXGJSXXLFQPOJ-HNNXBMFYSA-N |