rel-(4R,5R)-4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
Chemical Structure Depiction of
rel-(4R,5R)-4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
rel-(4R,5R)-4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
Compound characteristics
| Compound ID: | SC77-0884 |
| Compound Name: | rel-(4R,5R)-4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Smiles: | CC(C)S(N1C[C@H](C(N2CCc3ccccc3C2)=O)[C@]2(C1)C(NCCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2295 |
| logD: | 1.2295 |
| logSw: | -2.3847 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.678 |
| InChI Key: | YEZWWESXAMEFNZ-XLIONFOSSA-N |