3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | V011-4451 |
| Compound Name: | 3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 536.03 |
| Molecular Formula: | C28 H30 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1c(C2=C(C(N(C2=O)c2ccc(cc2)OC)=O)N2CCN(C)CC2)c(n(c2ccc(cc2)[Cl])n1)O |
| Stereo: | ACHIRAL |
| logP: | 3.8283 |
| logD: | 2.3503 |
| logSw: | -4.4503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.314 |
| InChI Key: | IXYXVAHJYULOHJ-UHFFFAOYSA-N |