2-[9-(isoquinoline-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
Chemical Structure Depiction of
2-[9-(isoquinoline-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
2-[9-(isoquinoline-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
Compound characteristics
| Compound ID: | S511-1591 |
| Compound Name: | 2-[9-(isoquinoline-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | CNC(CC1CCOC2(CCN(CC2)C(c2c3ccccc3ccn2)=O)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6277 |
| logD: | 1.6277 |
| logSw: | -2.3485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.657 |
| InChI Key: | VCFMVYSGUXVAHT-MRXNPFEDSA-N |