methyl 4-{[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V021-5519 |
| Compound Name: | methyl 4-{[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 464.48 |
| Molecular Formula: | C24 H24 N4 O6 |
| Salt: | not_available |
| Smiles: | COCCN1C(c2c(ncn2Cc2ccc(cc2)C(=O)OC)N(C1=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4813 |
| logD: | 2.4813 |
| logSw: | -2.6292 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.585 |
| InChI Key: | MJAMSRFXPDYTKO-UHFFFAOYSA-N |