6-(3-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-oxopropane-1-sulfonyl)-3,4-dihydroquinolin-2(1H)-one
Chemical Structure Depiction of
6-(3-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-oxopropane-1-sulfonyl)-3,4-dihydroquinolin-2(1H)-one
6-(3-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-oxopropane-1-sulfonyl)-3,4-dihydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T500-1660 |
| Compound Name: | 6-(3-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-oxopropane-1-sulfonyl)-3,4-dihydroquinolin-2(1H)-one |
| Molecular Weight: | 524.68 |
| Molecular Formula: | C29 H36 N2 O5 S |
| Smiles: | Cc1ccc(CC2CCOC3(CCN(CC3)C(CCS(c3ccc4c(CCC(N4)=O)c3)(=O)=O)=O)C2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1799 |
| logD: | 3.1794 |
| logSw: | -3.4356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.547 |
| InChI Key: | WQTINJZWZNYCLV-QHCPKHFHSA-N |