methyl 2-{[3-(3-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(3-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 2-{[3-(3-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V028-8188 |
| Compound Name: | methyl 2-{[3-(3-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(ncn2Cc2ccccc2C(=O)OC)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3763 |
| logD: | 3.3763 |
| logSw: | -3.5333 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.445 |
| InChI Key: | KYCIMORJDVLJBX-UHFFFAOYSA-N |