9-benzyl-3-[(3-chlorophenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-benzyl-3-[(3-chlorophenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-benzyl-3-[(3-chlorophenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0762 |
| Compound Name: | 9-benzyl-3-[(3-chlorophenyl)methyl]-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 435.91 |
| Molecular Formula: | C23 H22 Cl N5 O2 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Cl])C(c2c1nc1N(CCCn12)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4374 |
| logD: | 4.432 |
| logSw: | -4.5146 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.229 |
| InChI Key: | KNAXWYMJWQXBMN-UHFFFAOYSA-N |