4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-methylphenyl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-methylphenyl)piperidine-1-carboxamide
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-methylphenyl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | L077-0688 |
| Compound Name: | 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-(4-methylphenyl)piperidine-1-carboxamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | Cc1ccc(cc1)NC(N1CCC(CC1)c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7309 |
| logD: | 3.73 |
| logSw: | -3.7807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.147 |
| InChI Key: | BOHMLJCLKGUBRC-UHFFFAOYSA-N |