N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V031-3210 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 442.55 |
| Molecular Formula: | C23 H27 F N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1CCOC)SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4135 |
| logD: | 3.4134 |
| logSw: | -3.6537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.246 |
| InChI Key: | UGFOBYKABUFDCM-UHFFFAOYSA-N |