N-(3-chlorophenyl)-5-[4-(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-[4-(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-[4-(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F865-0500 |
| Compound Name: | N-(3-chlorophenyl)-5-[4-(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 501.99 |
| Molecular Formula: | C22 H24 Cl N7 O3 S |
| Smiles: | Cc1c(CNC(CC2CCN(CC2)C(c2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5851 |
| logD: | 2.5321 |
| logSw: | -3.4995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.95 |
| InChI Key: | QOWAYSRYVYGEJW-UHFFFAOYSA-N |