5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1768 |
| Compound Name: | 5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CC(C)Cc1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2129 |
| logD: | 4.2129 |
| logSw: | -4.3303 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.103 |
| InChI Key: | KJZIFIUTWGGWHX-UHFFFAOYSA-N |