rel-(4R,5R)-N-[(2,5-dimethoxyphenyl)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-[(2,5-dimethoxyphenyl)methyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
rel-(4R,5R)-N-[(2,5-dimethoxyphenyl)methyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
Compound characteristics
| Compound ID: | SC77-0838 |
| Compound Name: | rel-(4R,5R)-N-[(2,5-dimethoxyphenyl)methyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C20 H29 N3 O7 S |
| Smiles: | CC(C)S(N1C[C@H](C(NCc2cc(ccc2OC)OC)=O)[C@]2(C1)C(NCCO2)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.7183 |
| logD: | 0.7183 |
| logSw: | -2.4976 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.955 |
| InChI Key: | CROQGAPYUNJMGM-UZLBHIALSA-N |