N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | V001-4747 |
| Compound Name: | N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 656.81 |
| Molecular Formula: | C35 H43 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCCNC(CSc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 8.563 |
| logD: | 8.563 |
| logSw: | -5.7322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.108 |
| InChI Key: | MDKXRHIJQDUICR-UHFFFAOYSA-N |