rel-(6R,9S)-11-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-11-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0020 |
| Compound Name: | rel-(6R,9S)-11-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C21 H27 N3 O3 |
| Smiles: | CCOc1ccc(CN2[C@H]3CC[C@@H]2CC2=C(C3)N=C(C)NC2=O)cc1OC |
| Stereo: | RELATIVE |
| logP: | 1.357 |
| logD: | -0.682 |
| logSw: | -2.2786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.721 |
| InChI Key: | QUMSHCDLXSECGA-HZPDHXFCSA-N |