methyl 3-{[3-(2-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(2-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 3-{[3-(2-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V024-0467 |
| Compound Name: | methyl 3-{[3-(2-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C25 H25 Cl N4 O4 |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2cccc(c2)C(=O)OC)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4578 |
| logD: | 4.4578 |
| logSw: | -4.4533 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.397 |
| InChI Key: | KXMMOZKJMVFUJD-UHFFFAOYSA-N |