8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E514-0519 |
| Compound Name: | 8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C19 H19 N3 O S |
| Smiles: | Cc1ccc(C)c(CSc2c3cc4c(cc(C)o4)n3c(C)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8613 |
| logD: | 4.8608 |
| logSw: | -4.6478 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.082 |
| InChI Key: | CCWLATFWFWHJOK-UHFFFAOYSA-N |