2-nitro-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]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)carbamothioyl]amino}ethyl)benzamide
2-nitro-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1503-0965 |
| Compound Name: | 2-nitro-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 532.85 |
| Molecular Formula: | C19 H16 Cl3 N5 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1[N+]([O-])=O)=O)=S)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8781 |
| logD: | 2.0233 |
| logSw: | -5.2077 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.212 |
| InChI Key: | WBAYJEIDQFMLCK-KRWDZBQOSA-N |