5-methyl-2-phenyl-4-{1-phenyl-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-ylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-phenyl-4-{1-phenyl-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-ylidene}-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-phenyl-4-{1-phenyl-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-ylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 0103-0023 |
| Compound Name: | 5-methyl-2-phenyl-4-{1-phenyl-3-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-ylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C25 H19 N5 O |
| Smiles: | CC1/C(=C(/C=C/c2ccc(cc2)N2N=N2)c2ccccc2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7059 |
| logD: | 4.7059 |
| logSw: | -4.4677 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.58 |
| InChI Key: | HANUGJYYNNCKLQ-UHFFFAOYSA-N |