N-[(4-fluorophenyl)methyl]-2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V005-0676 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C27 H25 F N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1CC=C)SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7587 |
| logD: | 5.7583 |
| logSw: | -5.556 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.176 |
| InChI Key: | OLKCIULTFMDKNL-UHFFFAOYSA-N |