4-{[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-{[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-{[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-1036 |
| Compound Name: | 4-{[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]oxy}-2-(propan-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C24 H33 N3 O4 S |
| Smiles: | CCc1ccc(cc1)S(N1CCC(CC1)Oc1c2CCOCCc2nc(C(C)C)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7105 |
| logD: | 4.7105 |
| logSw: | -4.3257 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.201 |
| InChI Key: | MHJKKAFPNHKMCU-UHFFFAOYSA-N |