(3-fluoro-4-methylphenyl)(4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidin-1-yl)methanone
Chemical Structure Depiction of
(3-fluoro-4-methylphenyl)(4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidin-1-yl)methanone
(3-fluoro-4-methylphenyl)(4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S897-0972 |
| Compound Name: | (3-fluoro-4-methylphenyl)(4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidin-1-yl)methanone |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C24 H30 F N3 O3 |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCN(CC1)C(c1ccc(C)c(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0364 |
| logD: | 4.0364 |
| logSw: | -4.1792 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.138 |
| InChI Key: | FRKWDJWNUHIBPX-UHFFFAOYSA-N |