N,N-diethyl-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N,N-diethyl-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | V016-4757 |
| Compound Name: | N,N-diethyl-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7351 |
| logD: | 3.7351 |
| logSw: | -3.9367 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.77 |
| InChI Key: | NDGHPYILNJSZKS-UHFFFAOYSA-N |