3-[(3-chlorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(3-chlorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(3-chlorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0171 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C23 H22 Cl N5 O3 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Cl])C(c2c1nc1N(CCCn12)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7457 |
| logD: | 4.7451 |
| logSw: | -4.7994 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.326 |
| InChI Key: | XFNSDBAGTAYDFE-UHFFFAOYSA-N |