methyl 4-{[1-cyclohexyl-3-(3,4-difluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-cyclohexyl-3-(3,4-difluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[1-cyclohexyl-3-(3,4-difluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V024-0494 |
| Compound Name: | methyl 4-{[1-cyclohexyl-3-(3,4-difluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 494.5 |
| Molecular Formula: | C26 H24 F2 N4 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(C2CCCCC2)C(N3c2ccc(c(c2)F)F)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4413 |
| logD: | 4.4413 |
| logSw: | -4.4235 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.67 |
| InChI Key: | LMFSCRGFKWCRMF-UHFFFAOYSA-N |