1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[9-(methanesulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[9-(methanesulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[9-(methanesulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | S511-2799 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[9-(methanesulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-one |
| Molecular Weight: | 406.54 |
| Molecular Formula: | C21 H30 N2 O4 S |
| Smiles: | CS(N1CCC2(CC1)CC(CCO2)CC(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4386 |
| logD: | 2.4386 |
| logSw: | -2.5801 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.098 |
| InChI Key: | JEZYZJUAWZLYMQ-KRWDZBQOSA-N |