rel-(6R,9S)-11-(3,4-dimethoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-11-(3,4-dimethoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-(3,4-dimethoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0041 |
| Compound Name: | rel-(6R,9S)-11-(3,4-dimethoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3S(c1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.534 |
| logD: | 0.5321 |
| logSw: | -2.4608 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.342 |
| InChI Key: | NBBBBIHHTKKLGH-OLZOCXBDSA-N |