N-[(4-fluorophenyl)methyl]-2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-5106 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C25 H22 F N5 O S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2177 |
| logD: | 4.2049 |
| logSw: | -4.2573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.15 |
| InChI Key: | OPJBRRCSURGMEI-UHFFFAOYSA-N |