2-nitro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
Chemical Structure Depiction of
2-nitro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
2-nitro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | 1900-3265 |
| Compound Name: | 2-nitro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide |
| Molecular Weight: | 473.76 |
| Molecular Formula: | C18 H15 Cl3 N4 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1[N+]([O-])=O)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.818 |
| logD: | 2.5508 |
| logSw: | -5.1542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.301 |
| InChI Key: | HUIGASRORMGLJT-KRWDZBQOSA-N |