2-[(acenaphtho[1,2-e][1,2,4]triazin-9-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(acenaphtho[1,2-e][1,2,4]triazin-9-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
2-[(acenaphtho[1,2-e][1,2,4]triazin-9-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 3809-1110 |
| Compound Name: | 2-[(acenaphtho[1,2-e][1,2,4]triazin-9-yl)sulfanyl]-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C21 H13 N5 O3 S |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)Sc1nc2c3cccc4cccc(c34)c2nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.5405 |
| logD: | 4.5398 |
| logSw: | -5.3894 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.636 |
| InChI Key: | BLAJVQDFWBCCII-UHFFFAOYSA-N |