9-(3-chloro-4-methylphenyl)-3-(3,3-dimethyl-2-oxobutyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3-chloro-4-methylphenyl)-3-(3,3-dimethyl-2-oxobutyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3-chloro-4-methylphenyl)-3-(3,3-dimethyl-2-oxobutyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1035 |
| Compound Name: | 9-(3-chloro-4-methylphenyl)-3-(3,3-dimethyl-2-oxobutyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C22 H26 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1CCCn2c3C(N(CC(C(C)(C)C)=O)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5021 |
| logD: | 4.5017 |
| logSw: | -4.517 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.301 |
| InChI Key: | OWPTXRNIYFUBQO-UHFFFAOYSA-N |