[1,7-dimethyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Chemical Structure Depiction of
[1,7-dimethyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
[1,7-dimethyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Compound characteristics
| Compound ID: | 8255-1229 |
| Compound Name: | [1,7-dimethyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C24 H23 N5 O5 |
| Smiles: | CC1CN(c2ccc(cc2)Oc2ccccc2)c2nc3c(C(N(CC(O)=O)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9437 |
| logD: | -0.9327 |
| logSw: | -3.3175 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.053 |
| InChI Key: | UNEYEDPHMJUDED-HNNXBMFYSA-N |