4-[(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | D009-0589 |
| Compound Name: | 4-[(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C27 H32 N4 O2 |
| Smiles: | CCCCN(C)CC(Cn1cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)c2ccccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.086 |
| logD: | 2.8347 |
| logSw: | -3.8205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.304 |
| InChI Key: | IFSFJGUUHNSKEH-QHCPKHFHSA-N |