[9-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Chemical Structure Depiction of
[9-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
[9-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Compound characteristics
| Compound ID: | 8255-1204 |
| Compound Name: | [9-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid |
| Molecular Weight: | 389.8 |
| Molecular Formula: | C17 H16 Cl N5 O4 |
| Smiles: | CN1C(N(CC(O)=O)C(c2c1nc1N(CCCn12)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3832 |
| logD: | -2.4932 |
| logSw: | -2.4091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.438 |
| InChI Key: | TXANXLBQRUYWOI-UHFFFAOYSA-N |