ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-({[5-(prop-2-en-1-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-(prop-2-en-1-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-(prop-2-en-1-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: | 8015-7940 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C28 H28 N6 O3 S |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1439 |
| logD: | 4.9354 |
| logSw: | -5.1242 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.771 |
| InChI Key: | IQHNRGUPCRHUDD-HSZRJFAPSA-N |