1-(4-bromophenyl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
1-(4-bromophenyl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-6727 |
| Compound Name: | 1-(4-bromophenyl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one |
| Molecular Weight: | 442.27 |
| Molecular Formula: | C20 H16 Br N3 O4 |
| Smiles: | COc1ccc(/C=C/C(c2ccc(cc2)[Br])=O)cc1Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3727 |
| logD: | 4.3727 |
| logSw: | -4.4307 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.731 |
| InChI Key: | DSNUABPYCZFHNK-UHFFFAOYSA-N |