rel-(6R,9S)-11-pentanoyl-2-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-11-pentanoyl-2-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-pentanoyl-2-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0682 |
| Compound Name: | rel-(6R,9S)-11-pentanoyl-2-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C21 H25 N3 O2 |
| Smiles: | CCCCC(N1[C@H]2CC[C@@H]1CC1=C(C2)N=C(c2ccccc2)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1972 |
| logD: | 1.8409 |
| logSw: | -2.7731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.265 |
| InChI Key: | FETFCWODAJDJBZ-HZPDHXFCSA-N |