rel-(6R,9S)-2-ethyl-11-[3-(2-methoxyphenyl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-2-ethyl-11-[3-(2-methoxyphenyl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-2-ethyl-11-[3-(2-methoxyphenyl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-1258 |
| Compound Name: | rel-(6R,9S)-2-ethyl-11-[3-(2-methoxyphenyl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | CCC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3C(CCc1ccccc1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7945 |
| logD: | 1.7911 |
| logSw: | -2.2994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.905 |
| InChI Key: | YLYNXLUIAVQFAQ-HZPDHXFCSA-N |