4,9,9-trimethyl-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
Chemical Structure Depiction of
4,9,9-trimethyl-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
4,9,9-trimethyl-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
Compound characteristics
Compound ID: | 8020-0759 |
Compound Name: | 4,9,9-trimethyl-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione |
Molecular Weight: | 273.29 |
Molecular Formula: | C14 H15 N3 O3 |
Smiles: | CC1(C)CC(c2cnc3c(C(NC(N3C)=O)=O)c2C1)=O |
Stereo: | ACHIRAL |
logP: | 1.4828 |
logD: | 1.4692 |
logSw: | -2.3416 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.844 |
InChI Key: | LBQATGICRJALBI-UHFFFAOYSA-N |