N-[(furan-2-yl)methyl]-2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-9940 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3456 |
| logD: | 5.3454 |
| logSw: | -5.6257 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.763 |
| InChI Key: | VZEQCZMWRJPDGX-UHFFFAOYSA-N |