1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F863-0744 |
| Compound Name: | 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(3,4-dimethylphenyl)piperidine-4-carboxamide |
| Molecular Weight: | 507.57 |
| Molecular Formula: | C25 H25 N5 O5 S |
| Smiles: | Cc1ccc(cc1C)NC(C1CCN(CC1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4044 |
| logD: | 3.3897 |
| logSw: | -3.5563 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.689 |
| InChI Key: | PGCLFRATMFDFME-UHFFFAOYSA-N |