rel-(6R,9S)-11-(butane-1-sulfonyl)-2-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
rel-(6R,9S)-11-(butane-1-sulfonyl)-2-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
rel-(6R,9S)-11-(butane-1-sulfonyl)-2-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | S889-0676 |
| Compound Name: | rel-(6R,9S)-11-(butane-1-sulfonyl)-2-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminocycloocta[d]pyrimidin-4(3H)-one |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | CCCCS(N1[C@H]2CC[C@@H]1CC1=C(C2)N=C(c2ccccc2)NC1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9504 |
| logD: | 1.5941 |
| logSw: | -2.6384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.303 |
| InChI Key: | IQNNDESBQUIXNS-CVEARBPZSA-N |