9-methyl-4-(2-phenylethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
Chemical Structure Depiction of
9-methyl-4-(2-phenylethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
9-methyl-4-(2-phenylethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
Compound characteristics
| Compound ID: | D718-1337 |
| Compound Name: | 9-methyl-4-(2-phenylethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | CC1CC(c2cnc3c(C(NC(N3CCc3ccccc3)=O)=O)c2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4476 |
| logD: | 3.4334 |
| logSw: | -3.9581 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.785 |
| InChI Key: | IULMNJNZANVBNL-GFCCVEGCSA-N |