rel-(6R,9S)-2-methyl-11-(3-phenylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-2-methyl-11-(3-phenylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-2-methyl-11-(3-phenylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0049 |
| Compound Name: | rel-(6R,9S)-2-methyl-11-(3-phenylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 323.44 |
| Molecular Formula: | C20 H25 N3 O |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3CCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1951 |
| logD: | 0.6307 |
| logSw: | -2.6772 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.859 |
| InChI Key: | QXOOALCSRWSDHA-IAGOWNOFSA-N |