rel-(6R,9S)-2-methyl-11-(pyridine-3-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-2-methyl-11-(pyridine-3-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-2-methyl-11-(pyridine-3-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0040 |
| Compound Name: | rel-(6R,9S)-2-methyl-11-(pyridine-3-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | CC1NC(C2C[C@H]3CC[C@@H](CC=2N=1)N3S(c1cccnc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2103 |
| logD: | -0.2122 |
| logSw: | -1.6482 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.599 |
| InChI Key: | APDBUJOJYGFSNM-NEPJUHHUSA-N |