rel-(6R,9S)-11-(3-methoxybenzene-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-methoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-(3-methoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0043 |
| Compound Name: | rel-(6R,9S)-11-(3-methoxybenzene-1-sulfonyl)-2-methyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3S(c1cccc(c1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9074 |
| logD: | 0.9055 |
| logSw: | -2.4679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.625 |
| InChI Key: | TYCCDVWCKVBMPB-OLZOCXBDSA-N |