4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-3919 |
| Compound Name: | 4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C19 H19 N5 O4 S |
| Salt: | not_available |
| Smiles: | COCCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2987 |
| logD: | 2.2987 |
| logSw: | -2.5004 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.002 |
| InChI Key: | QYOLADIOXQCMQC-UHFFFAOYSA-N |