methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 5251-0154 |
| Compound Name: | methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate |
| Molecular Weight: | 328.33 |
| Molecular Formula: | C16 H16 N4 O4 |
| Smiles: | CN1C(c2c(ncn2Cc2ccc(cc2)C(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4666 |
| logD: | 1.4666 |
| logSw: | -1.9133 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.134 |
| InChI Key: | XSDQSNJZWKXZDV-UHFFFAOYSA-N |