N-(4-bromo-2-fluorophenyl)-2-({4-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-({4-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-bromo-2-fluorophenyl)-2-({4-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y503-3743 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-({4-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 493.4 |
| Molecular Formula: | C20 H22 Br F N6 O S |
| Smiles: | Cc1cc(C)n(CCc2nnc(n2C2CC2)SCC(Nc2ccc(cc2F)[Br])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7678 |
| logD: | 2.7521 |
| logSw: | -3.1089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.29 |
| InChI Key: | TWDHIKDZSKKURE-UHFFFAOYSA-N |