methyl 4-{[1-cyclohexyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-cyclohexyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[1-cyclohexyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V024-0500 |
| Compound Name: | methyl 4-{[1-cyclohexyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(C2CCCCC2)C(c2c1ncn2Cc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5014 |
| logD: | 4.5014 |
| logSw: | -4.3442 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.369 |
| InChI Key: | WGXPYVZIUXDIPN-UHFFFAOYSA-N |