rel-(4R,5R)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(methanesulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
Chemical Structure Depiction of
rel-(4R,5R)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(methanesulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
rel-(4R,5R)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(methanesulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
Compound characteristics
| Compound ID: | SC77-0789 |
| Compound Name: | rel-(4R,5R)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(methanesulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C21 H30 N4 O5 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C([C@H]1CN(C[C@]12C(NCCO2)=O)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2467 |
| logD: | 1.2466 |
| logSw: | -2.3855 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.468 |
| InChI Key: | DMTUXLGUGWPJKU-UTKZUKDTSA-N |