methyl 2-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 2-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V016-6750 |
| Compound Name: | methyl 2-{[3-(2-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(ncn2Cc2ccccc2C(=O)OC)N(C1=O)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5066 |
| logD: | 3.5066 |
| logSw: | -3.6532 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.049 |
| InChI Key: | NFENJIFSQMCLMD-UHFFFAOYSA-N |