N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[(3-chlorophenyl)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-{[(3-chlorophenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[(3-chlorophenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F865-0650 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[(3-chlorophenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 542.01 |
| Molecular Formula: | C25 H24 Cl N5 O5 S |
| Smiles: | C1CN(CCC1CC(NCc1cccc(c1)[Cl])=O)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5251 |
| logD: | 3.5104 |
| logSw: | -3.8395 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.797 |
| InChI Key: | NASJTOBSJIIADG-UHFFFAOYSA-N |