3-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-nitro-1H-indole
Chemical Structure Depiction of
3-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-nitro-1H-indole
3-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-nitro-1H-indole
Compound characteristics
| Compound ID: | 8009-0413 |
| Compound Name: | 3-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-nitro-1H-indole |
| Molecular Weight: | 461.93 |
| Molecular Formula: | C23 H16 Cl N5 O2 S |
| Smiles: | C(c1c[nH]c2cc(ccc12)[N+]([O-])=O)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8882 |
| logD: | 5.8882 |
| logSw: | -6.0833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.965 |
| InChI Key: | WXBNGNUEEFNPSM-UHFFFAOYSA-N |