methyl 3-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 3-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V024-1423 |
| Compound Name: | methyl 3-{[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(c1cccc(Cn2cnc3c2C(N(C2CCCCC2)C(N3c2ccccc2[Cl])=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4559 |
| logD: | 4.4559 |
| logSw: | -4.4695 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.369 |
| InChI Key: | VACNCGUWGNGQPW-UHFFFAOYSA-N |