5-ethyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
5-ethyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
5-ethyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-0942 |
| Compound Name: | 5-ethyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C22 H20 N4 O S2 |
| Smiles: | CCc1nnc(c2cc3c(ccs3)n12)SCc1c(C)oc(c2cccc(C)c2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2658 |
| logD: | 5.2619 |
| logSw: | -5.1949 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.436 |
| InChI Key: | IRXFVKRARJEZBJ-UHFFFAOYSA-N |