2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-7-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-0873 |
| Compound Name: | 2-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 460.94 |
| Molecular Formula: | C23 H17 Cl N6 O S |
| Smiles: | Cc1c2c(ncn3c2nc(CSc2nc4ccccc4o2)n3)n(c2ccccc2[Cl])c1C |
| Stereo: | ACHIRAL |
| logP: | 5.1955 |
| logD: | 5.1504 |
| logSw: | -5.686 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.17 |
| InChI Key: | JZXVOYGQYRGELC-UHFFFAOYSA-N |