rel-(6R,9S)-2-ethyl-11-(5-fluoro-2-methoxybenzene-1-sulfonyl)-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-fluoro-2-methoxybenzene-1-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-2-ethyl-11-(5-fluoro-2-methoxybenzene-1-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-1196 |
| Compound Name: | rel-(6R,9S)-2-ethyl-11-(5-fluoro-2-methoxybenzene-1-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 407.46 |
| Molecular Formula: | C19 H22 F N3 O4 S |
| Smiles: | CCC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3S(c1cc(ccc1OC)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2893 |
| logD: | 1.2859 |
| logSw: | -2.525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.049 |
| InChI Key: | IMFLTBGWSJDHLR-OLZOCXBDSA-N |