1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-4-(morpholin-4-yl)-1H-pyrrole-2,5-dione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-4-(morpholin-4-yl)-1H-pyrrole-2,5-dione
1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-4-(morpholin-4-yl)-1H-pyrrole-2,5-dione
Compound characteristics
| Compound ID: | V030-4774 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-4-(morpholin-4-yl)-1H-pyrrole-2,5-dione |
| Molecular Weight: | 508.92 |
| Molecular Formula: | C25 H21 Cl N4 O6 |
| Salt: | not_available |
| Smiles: | Cc1c(C2=C(C(N(C2=O)c2ccc3c(c2)OCO3)=O)N2CCOCC2)c(n(c2ccc(cc2)[Cl])n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.2673 |
| logD: | 0.2377 |
| logSw: | -2.9184 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.124 |
| InChI Key: | YAUBAXPFWVRHIF-UHFFFAOYSA-N |