methyl 3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V018-1996 |
| Compound Name: | methyl 3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C22 H19 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)C(=O)OC)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1531 |
| logD: | 3.1531 |
| logSw: | -3.4476 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.144 |
| InChI Key: | KJYFAJVUYOENKA-UHFFFAOYSA-N |