4-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}phenyl acetate
Chemical Structure Depiction of
4-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}phenyl acetate
4-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}phenyl acetate
Compound characteristics
| Compound ID: | 2368-1141 |
| Compound Name: | 4-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}phenyl acetate |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C25 H23 N3 O3 |
| Smiles: | CC1/C(=C/c2cc(C)n(c3ccc(cc3)OC(C)=O)c2C)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6883 |
| logD: | 3.6883 |
| logSw: | -4.1194 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.003 |
| InChI Key: | CIIGTBGUZGMLID-UHFFFAOYSA-N |