methyl 4-({3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
methyl 4-({3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Compound characteristics
| Compound ID: | V029-5384 |
| Compound Name: | methyl 4-({3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate |
| Molecular Weight: | 518.93 |
| Molecular Formula: | C27 H20 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(Cc2ccc(cc2)F)C(N3c2ccc(cc2)[Cl])=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6673 |
| logD: | 4.6673 |
| logSw: | -4.8717 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.448 |
| InChI Key: | SXMITHXIDNDUNH-UHFFFAOYSA-N |