1,5-dimethyl-2-{4-[4-(3-phenylquinoxalin-2-yl)piperazine-1-sulfonyl]phenyl}-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-2-{4-[4-(3-phenylquinoxalin-2-yl)piperazine-1-sulfonyl]phenyl}-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-2-{4-[4-(3-phenylquinoxalin-2-yl)piperazine-1-sulfonyl]phenyl}-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8017-4036 |
| Compound Name: | 1,5-dimethyl-2-{4-[4-(3-phenylquinoxalin-2-yl)piperazine-1-sulfonyl]phenyl}-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 582.73 |
| Molecular Formula: | C32 H34 N6 O3 S |
| Smiles: | CC(C)C1=C(C)N(C)N(C1=O)c1ccc(cc1)S(N1CCN(CC1)c1c(c2ccccc2)nc2ccccc2n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7004 |
| logD: | 4.6996 |
| logSw: | -4.3506 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.757 |
| InChI Key: | MSQAVQRTNPUCEP-UHFFFAOYSA-N |