3-[(2-chloro-6-fluorophenyl)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-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8131-1511 |
| Compound Name: | 3-[(2-chloro-6-fluorophenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C23 H21 Cl F N5 O3 |
| Smiles: | CN1C(N(Cc2c(cccc2[Cl])F)C(c2c1nc1N(CCCn12)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5657 |
| logD: | 4.5651 |
| logSw: | -4.6587 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.326 |
| InChI Key: | FDRBOJHGQVRJNC-UHFFFAOYSA-N |