rel-(6R,9S)-2-ethyl-11-(5-methyl-1,2-oxazole-3-carbonyl)-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-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-2-ethyl-11-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-1151 |
| Compound Name: | rel-(6R,9S)-2-ethyl-11-(5-methyl-1,2-oxazole-3-carbonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | CCC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3C(c1cc(C)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.653 |
| logD: | 0.6496 |
| logSw: | -1.8646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.03 |
| InChI Key: | GSLRUFLDTWFUGU-MNOVXSKESA-N |