N-(3-chlorophenyl)-5-[(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-[(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-[(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L083-0531 |
| Compound Name: | N-(3-chlorophenyl)-5-[(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 482.95 |
| Molecular Formula: | C22 H19 Cl N6 O3 S |
| Smiles: | Cc1c(CNC(c2ccc(cc2)OCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.367 |
| logD: | 3.3637 |
| logSw: | -3.8348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.238 |
| InChI Key: | MRIQEQPVYSXVBT-UHFFFAOYSA-N |