methyl [1,3-dimethyl-8-(3-methylanilino)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
methyl [1,3-dimethyl-8-(3-methylanilino)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
methyl [1,3-dimethyl-8-(3-methylanilino)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | 8016-6245 |
| Compound Name: | methyl [1,3-dimethyl-8-(3-methylanilino)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 357.37 |
| Molecular Formula: | C17 H19 N5 O4 |
| Smiles: | Cc1cccc(c1)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4967 |
| logD: | 2.4936 |
| logSw: | -2.8598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.375 |
| InChI Key: | JUEQPWKBQDUMNG-UHFFFAOYSA-N |