2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-7-(3,4-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-7-(3,4-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-7-(3,4-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-0837 |
| Compound Name: | 2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-7-(3,4-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C25 H22 N6 O S |
| Smiles: | Cc1ccc(cc1C)n1c(C)c(C)c2c1ncn1c2nc(CSc2nc3ccccc3o2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9065 |
| logD: | 5.6987 |
| logSw: | -5.9184 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.471 |
| InChI Key: | NOIWQDJPUQJAHX-UHFFFAOYSA-N |