rel-(6R,9S)-11-(2,5-dimethoxybenzene-1-sulfonyl)-2-ethyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-11-(2,5-dimethoxybenzene-1-sulfonyl)-2-ethyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-(2,5-dimethoxybenzene-1-sulfonyl)-2-ethyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-1194 |
| Compound Name: | rel-(6R,9S)-11-(2,5-dimethoxybenzene-1-sulfonyl)-2-ethyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | CCC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3S(c1cc(ccc1OC)OC)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.2538 |
| logD: | 1.2503 |
| logSw: | -2.5136 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.593 |
| InChI Key: | STEKBIVHETXEAD-OLZOCXBDSA-N |