2-ethyl-4-{[1-(4-ethylbenzene-1-sulfonyl)piperidin-3-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
2-ethyl-4-{[1-(4-ethylbenzene-1-sulfonyl)piperidin-3-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
2-ethyl-4-{[1-(4-ethylbenzene-1-sulfonyl)piperidin-3-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S897-0831 |
| Compound Name: | 2-ethyl-4-{[1-(4-ethylbenzene-1-sulfonyl)piperidin-3-yl]oxy}-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | CCc1ccc(cc1)S(N1CCCC(C1)Oc1c2CCOCCc2nc(CC)n1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0481 |
| logD: | 4.0481 |
| logSw: | -3.9599 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.125 |
| InChI Key: | PEAJYVPYJKZWFC-SFHVURJKSA-N |