methyl 2-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 2-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
Compound ID: | V024-1471 |
Compound Name: | methyl 2-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
Molecular Weight: | 492.96 |
Molecular Formula: | C26 H25 Cl N4 O4 |
Salt: | not_available |
Smiles: | COC(c1ccccc1Cn1cnc2c1C(N(C1CCCCC1)C(N2c1ccccc1[Cl])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5281 |
logD: | 4.5281 |
logSw: | -4.6028 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.369 |
InChI Key: | YZNPHDKXEQJQTL-UHFFFAOYSA-N |