N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[(4-ethylphenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[(4-ethylphenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[(4-ethylphenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F865-0737 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[(4-ethylphenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C27 H29 N5 O5 S |
| Smiles: | CCc1ccc(CNC(CC2CCN(CC2)C(c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7584 |
| logD: | 3.7437 |
| logSw: | -3.9065 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.797 |
| InChI Key: | JZQBZVFURRQSQE-UHFFFAOYSA-N |