methyl 4-({1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
methyl 4-({1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Compound characteristics
| Compound ID: | V023-8439 |
| Compound Name: | methyl 4-({1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C28 H32 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccc(cc2)C(=O)OC)N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4134 |
| logD: | 5.4134 |
| logSw: | -5.486 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.698 |
| InChI Key: | BLKMWBJGGKJTRV-UHFFFAOYSA-N |