N-[(4-fluorophenyl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-7943 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C27 H25 F N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)SCc1cccc(c1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.607 |
| logD: | 5.6068 |
| logSw: | -5.4233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.632 |
| InChI Key: | MBFNWHGBBWJHKD-UHFFFAOYSA-N |