ethyl 6-[(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-9934 |
| Compound Name: | ethyl 6-[(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 576.36 |
| Molecular Formula: | C22 H22 Br N7 O7 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(N(C)C=1Cn1c2C(N(C)C(N(C)c2nc1[Br])=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5138 |
| logD: | 2.478 |
| logSw: | -2.9156 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.237 |
| InChI Key: | LQCQNSDUTUQFKR-OAHLLOKOSA-N |