1-ethyl-N-[(2-methylphenyl)methyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[(2-methylphenyl)methyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
1-ethyl-N-[(2-methylphenyl)methyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-0621 |
| Compound Name: | 1-ethyl-N-[(2-methylphenyl)methyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C18 H24 N4 O3 S2 |
| Smiles: | CCn1cc(C(NCc2ccccc2C)=O)c(n1)S(N1CCSCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5023 |
| logD: | 2.5012 |
| logSw: | -2.7754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.186 |
| InChI Key: | XBHBXSFAKSKBMO-UHFFFAOYSA-N |