N-{[9-(isoquinoline-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-{[9-(isoquinoline-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide
N-{[9-(isoquinoline-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | SA64-0621 |
| Compound Name: | N-{[9-(isoquinoline-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}methanesulfonamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CS(NCC1CCOC2(CCN(CC2)C(c2c3ccccc3ccn2)=O)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7826 |
| logD: | 1.7826 |
| logSw: | -2.6214 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.011 |
| InChI Key: | RKPJPABTLSCLMW-INIZCTEOSA-N |