9-(3-chloro-4-methylphenyl)-1-methyl-3-(3-phenylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3-chloro-4-methylphenyl)-1-methyl-3-(3-phenylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3-chloro-4-methylphenyl)-1-methyl-3-(3-phenylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1030 |
| Compound Name: | 9-(3-chloro-4-methylphenyl)-1-methyl-3-(3-phenylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 461.95 |
| Molecular Formula: | C25 H24 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1[Cl])N1CCCn2c3C(N(C/C=C/c4ccccc4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7594 |
| logD: | 5.7591 |
| logSw: | -5.938 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.761 |
| InChI Key: | KDDGKWCPRJQGLV-UHFFFAOYSA-N |