N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(4-methylpiperazine-1-sulfonyl)methyl]benzamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(4-methylpiperazine-1-sulfonyl)methyl]benzamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(4-methylpiperazine-1-sulfonyl)methyl]benzamide
Compound characteristics
| Compound ID: | Y300-1303 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(4-methylpiperazine-1-sulfonyl)methyl]benzamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C24 H29 N5 O4 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(c1ccc(CS(N2CCN(C)CC2)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1984 |
| logD: | -0.5141 |
| logSw: | -2.0437 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.793 |
| InChI Key: | QDNRNENAEGEMRV-UHFFFAOYSA-N |