rel-(4R,5R)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of
rel-(4R,5R)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
rel-(4R,5R)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
Compound characteristics
| Compound ID: | SC77-0827 |
| Compound Name: | rel-(4R,5R)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C19 H31 N5 O5 S |
| Smiles: | CCn1c(C)c(CNC([C@H]2CN(C[C@]23C(NCCO3)=O)S(C(C)C)(=O)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1965 |
| logD: | -0.1965 |
| logSw: | -1.7465 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.059 |
| InChI Key: | SANJHVLCIZENPF-APWZRJJASA-N |