1-{3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
1-{3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S897-0699 |
| Compound Name: | 1-{3-[(2-ethyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)oxy]piperidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | CCc1nc2CCOCCc2c(n1)OC1CCCN(C1)C(Cc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.374 |
| logD: | 3.374 |
| logSw: | -3.6063 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.078 |
| InChI Key: | UEAGFGMEFJVRJB-IBGZPJMESA-N |