2-(2-{[(2-chloro-4,5-difluorophenyl)methyl]sulfanyl}-5-methyl-1,3-benzoxazol-7-yl)-2H-benzotriazole
Chemical Structure Depiction of
2-(2-{[(2-chloro-4,5-difluorophenyl)methyl]sulfanyl}-5-methyl-1,3-benzoxazol-7-yl)-2H-benzotriazole
2-(2-{[(2-chloro-4,5-difluorophenyl)methyl]sulfanyl}-5-methyl-1,3-benzoxazol-7-yl)-2H-benzotriazole
Compound characteristics
| Compound ID: | 8017-5496 |
| Compound Name: | 2-(2-{[(2-chloro-4,5-difluorophenyl)methyl]sulfanyl}-5-methyl-1,3-benzoxazol-7-yl)-2H-benzotriazole |
| Molecular Weight: | 442.87 |
| Molecular Formula: | C21 H13 Cl F2 N4 O S |
| Smiles: | Cc1cc(c2c(c1)nc(o2)SCc1cc(c(cc1[Cl])F)F)n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8994 |
| logD: | 6.8994 |
| logSw: | -6.4213 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.597 |
| InChI Key: | SSMOYOQSKHLVAO-UHFFFAOYSA-N |