ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7941 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 530.65 |
| Molecular Formula: | C28 H30 N6 O3 S |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CSc1nc2c(c3ccccc3n2C(C)C)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0535 |
| logD: | 4.845 |
| logSw: | -4.8099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.868 |
| InChI Key: | FWQUUEBZFPMQJZ-HSZRJFAPSA-N |