8-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-0829 |
| Compound Name: | 8-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | Cc1nnc(c2cc3c(ccs3)n12)SCc1c(C)oc(c2ccc(c(c2)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8888 |
| logD: | 3.8857 |
| logSw: | -4.0658 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.497 |
| InChI Key: | XGOJUULHHMNWKK-UHFFFAOYSA-N |