N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 1890-1165 |
| Compound Name: | N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 479.27 |
| Molecular Formula: | C16 H11 Br N6 O5 S |
| Smiles: | C(C(Nc1cc(cc(c1)Sc1ccc(cc1)[Br])[N+]([O-])=O)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4233 |
| logD: | 4.4231 |
| logSw: | -4.3675 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.894 |
| InChI Key: | YGBMVRVJSUEGNO-UHFFFAOYSA-N |