N-(butan-2-yl)-4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-6509 |
| Compound Name: | N-(butan-2-yl)-4-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C22 H25 F N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1ccc(CSc2nnc(COC)n2c2ccc(cc2)F)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6894 |
| logD: | 2.6894 |
| logSw: | -3.0136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.51 |
| InChI Key: | FIWNWBURVSPITA-HNNXBMFYSA-N |