(2,4-dimethoxyphenyl)(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
(2,4-dimethoxyphenyl)(4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidin-1-yl)methanone
(2,4-dimethoxyphenyl)(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: | S897-0924 |
| Compound Name: | (2,4-dimethoxyphenyl)(4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidin-1-yl)methanone |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C25 H33 N3 O5 |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCN(CC1)C(c1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5333 |
| logD: | 3.5333 |
| logSw: | -3.694 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.312 |
| InChI Key: | MRSZBWBOSPSRIF-UHFFFAOYSA-N |