2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol
Chemical Structure Depiction of
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol
Compound characteristics
| Compound ID: | 6737-1664 |
| Compound Name: | 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C28 H27 F N2 O4 |
| Smiles: | CCc1cc(c(cc1OCc1ccc(cc1)F)O)c1c(c2ccc3c(c2)OCCCO3)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0199 |
| logD: | 5.9999 |
| logSw: | -5.4485 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.82 |
| InChI Key: | JTSAQKROCCZMKW-UHFFFAOYSA-N |