N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G731-0365 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 422.86 |
| Molecular Formula: | C18 H16 Cl F N4 O3 S |
| Smiles: | COc1cc(c(cc1NC(CSc1nnc(c2ccc(cc2)F)[nH]1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.1886 |
| logD: | 1.9969 |
| logSw: | -3.6524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.186 |
| InChI Key: | BMXYOENONWZRQB-UHFFFAOYSA-N |