4-{[6-ethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-4-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen tetrafluoridoborate (1/1)
Chemical Structure Depiction of
4-{[6-ethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-4-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen tetrafluoridoborate (1/1)
4-{[6-ethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-4-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen tetrafluoridoborate (1/1)
Compound characteristics
| Compound ID: | 6197-5267 |
| Compound Name: | 4-{[6-ethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-4-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen tetrafluoridoborate (1/1) |
| Molecular Weight: | 553.36 |
| Molecular Formula: | C29 H27 N3 O3 |
| Salt: | HBF4 |
| Smiles: | CCc1ccc2c(c1)C(/C=C(c1ccc(cc1)OC)O2)=N/C1=C(C)N(C)N(C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.68 |
| logD: | 5.68 |
| logSw: | -5.494 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.93 |
| InChI Key: | XOYGSMJIXYSMJI-QCWLDUFUSA-N |