8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-1179 |
| Compound Name: | 8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 455 |
| Molecular Formula: | C22 H19 Cl N4 O S2 |
| Smiles: | CCc1nnc(c2cc3c(cc(C)s3)n12)SCc1c(C)oc(c2ccccc2[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9717 |
| logD: | 5.9678 |
| logSw: | -6.0672 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.436 |
| InChI Key: | LPQBLKHZYHZJRT-UHFFFAOYSA-N |