N-[(3-fluorophenyl)methyl]-4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidine-1-carboxamide
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidine-1-carboxamide
N-[(3-fluorophenyl)methyl]-4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S897-1054 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidine-1-carboxamide |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C24 H31 F N4 O3 |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCN(CC1)C(NCc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6028 |
| logD: | 3.6028 |
| logSw: | -3.8209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.281 |
| InChI Key: | YXNLXZSCKFQNKE-UHFFFAOYSA-N |