(3-methylthiophen-2-yl)(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-methylthiophen-2-yl)(4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidin-1-yl)methanone
(3-methylthiophen-2-yl)(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: | S897-0914 |
| Compound Name: | (3-methylthiophen-2-yl)(4-{[2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl]oxy}piperidin-1-yl)methanone |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | CC(C)c1nc2CCOCCc2c(n1)OC1CCN(CC1)C(c1c(C)ccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9532 |
| logD: | 3.9532 |
| logSw: | -3.8692 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.157 |
| InChI Key: | CHWMHEWTLBKWCU-UHFFFAOYSA-N |