2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-ethyl-8-methyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-ethyl-8-methyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-ethyl-8-methyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
Compound characteristics
| Compound ID: | C888-0613 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-ethyl-8-methyl[1,2,4]triazino[4,5-a]indol-1(2H)-one |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Smiles: | CCC1=NN(Cc2c(C)oc(c3ccc(c(c3)OC)OC)n2)C(c2cc3cc(C)ccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3754 |
| logD: | 4.3682 |
| logSw: | -4.4165 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.85 |
| InChI Key: | WHPYUNDICCIZCC-UHFFFAOYSA-N |