9,9-dimethyl-3-[(2-phenylethyl)amino]-9,10-dihydropyrimido[4,5-c]isoquinoline-1,7(2H,8H)-dione
Chemical Structure Depiction of
9,9-dimethyl-3-[(2-phenylethyl)amino]-9,10-dihydropyrimido[4,5-c]isoquinoline-1,7(2H,8H)-dione
9,9-dimethyl-3-[(2-phenylethyl)amino]-9,10-dihydropyrimido[4,5-c]isoquinoline-1,7(2H,8H)-dione
Compound characteristics
| Compound ID: | Y020-3731 |
| Compound Name: | 9,9-dimethyl-3-[(2-phenylethyl)amino]-9,10-dihydropyrimido[4,5-c]isoquinoline-1,7(2H,8H)-dione |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C21 H22 N4 O2 |
| Smiles: | CC1(C)CC(c2cnc3c(C(NC(NCCc4ccccc4)=N3)=O)c2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9104 |
| logD: | 2.7822 |
| logSw: | -3.5438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.603 |
| InChI Key: | IPNNZISBTYUZCP-UHFFFAOYSA-N |