1,5-dimethyl-2-(4-{4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]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-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-sulfonyl}phenyl)-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-2-(4-{4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-sulfonyl}phenyl)-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8018-3712 |
| Compound Name: | 1,5-dimethyl-2-(4-{4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-sulfonyl}phenyl)-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 612.71 |
| Molecular Formula: | C29 H36 N6 O7 S |
| Smiles: | CC(C)C1=C(C)N(C)N(C1=O)c1ccc(cc1)S(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(N1CCOCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5546 |
| logD: | 1.5546 |
| logSw: | -2.4594 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 112.728 |
| InChI Key: | RZPBEPNOHRTGDS-UHFFFAOYSA-N |