methyl 2-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 2-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V023-6459 |
| Compound Name: | methyl 2-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 514.97 |
| Molecular Formula: | C28 H23 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1Cn1cnc2c1C(N(CCc1ccccc1)C(N2c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7587 |
| logD: | 4.7587 |
| logSw: | -4.947 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.427 |
| InChI Key: | NLKBIMLZFBTMMG-UHFFFAOYSA-N |