methyl 2-({1-(2-methoxyethyl)-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 2-({1-(2-methoxyethyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
methyl 2-({1-(2-methoxyethyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Compound characteristics
| Compound ID: | V024-0555 |
| Compound Name: | methyl 2-({1-(2-methoxyethyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C26 H28 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CCOC)C(c2c1ncn2Cc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.622 |
| logD: | 3.622 |
| logSw: | -3.5774 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.041 |
| InChI Key: | FKCBGOQKKKHKAQ-UHFFFAOYSA-N |