4-methyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
Chemical Structure Depiction of
4-methyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
4-methyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | 1309-0182 |
| Compound Name: | 4-methyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide |
| Molecular Weight: | 442.79 |
| Molecular Formula: | C19 H18 Cl3 N3 O S |
| Smiles: | Cc1ccc(cc1)C(NC(C([Cl])([Cl])[Cl])Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2444 |
| logD: | 4.9836 |
| logSw: | -5.8263 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.221 |
| InChI Key: | YNZGDDLQVZDYAZ-SFHVURJKSA-N |