3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)butanamide
Chemical Structure Depiction of
3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)butanamide
3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)butanamide
Compound characteristics
| Compound ID: | 1501-0709 |
| Compound Name: | 3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)butanamide |
| Molecular Weight: | 467.87 |
| Molecular Formula: | C17 H21 Cl3 N4 O S2 |
| Smiles: | CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C#N)c2CCCCc2s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8504 |
| logD: | 4.7735 |
| logSw: | -4.9715 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.189 |
| InChI Key: | ACCZQFYCWSMYTA-HNNXBMFYSA-N |