5-ethyl-2-methyl-8-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
5-ethyl-2-methyl-8-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
5-ethyl-2-methyl-8-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-1144 |
| Compound Name: | 5-ethyl-2-methyl-8-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 381.56 |
| Molecular Formula: | C21 H23 N3 S2 |
| Smiles: | CCc1nnc(c2cc3c(cc(C)s3)n12)SCc1c(C)cc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.5761 |
| logD: | 6.5756 |
| logSw: | -5.8009 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.3136 |
| InChI Key: | VIRGOAXAIPVOJW-UHFFFAOYSA-N |