N-[(3-chlorophenyl)methyl]-1-methyl-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-1-methyl-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
N-[(3-chlorophenyl)methyl]-1-methyl-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-0487 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-1-methyl-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C16 H19 Cl N4 O3 S2 |
| Smiles: | Cn1cc(C(NCc2cccc(c2)[Cl])=O)c(n1)S(N1CCSCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8972 |
| logD: | 1.897 |
| logSw: | -3.1748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.493 |
| InChI Key: | ISXOEIIQQYLHQN-UHFFFAOYSA-N |