8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0263 |
| Compound Name: | 8-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C18 H19 N5 O2 S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCC(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0724 |
| logD: | 2.0722 |
| logSw: | -2.657 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.469 |
| InChI Key: | JBNROCKALOHPSF-UHFFFAOYSA-N |