N-butyl-3-[4-(2-ethoxyphenyl)piperazine-1-sulfonyl]-1-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-butyl-3-[4-(2-ethoxyphenyl)piperazine-1-sulfonyl]-1-methyl-1H-pyrazole-4-carboxamide
N-butyl-3-[4-(2-ethoxyphenyl)piperazine-1-sulfonyl]-1-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-5390 |
| Compound Name: | N-butyl-3-[4-(2-ethoxyphenyl)piperazine-1-sulfonyl]-1-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C21 H31 N5 O4 S |
| Smiles: | CCCCNC(c1cn(C)nc1S(N1CCN(CC1)c1ccccc1OCC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6023 |
| logD: | 2.6023 |
| logSw: | -3.3624 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.776 |
| InChI Key: | XREWXLJPCOGEBI-UHFFFAOYSA-N |