N-(2-methoxyethyl)-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V026-0118 |
| Compound Name: | N-(2-methoxyethyl)-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7331 |
| logD: | 2.7331 |
| logSw: | -3.5609 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.169 |
| InChI Key: | LPBOHOBDHHITMV-UHFFFAOYSA-N |