methyl 3-{[3-(3-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(3-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 3-{[3-(3-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V017-2773 |
| Compound Name: | methyl 3-{[3-(3-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C25 H26 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2cccc(c2)C(=O)OC)N(C1=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7389 |
| logD: | 3.7389 |
| logSw: | -4.0943 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.264 |
| InChI Key: | BKYFFGIAMUGXHV-UHFFFAOYSA-N |