4-methoxy-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
4-methoxy-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide
4-methoxy-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: | 1503-0970 |
| Compound Name: | 4-methoxy-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 517.88 |
| Molecular Formula: | C20 H19 Cl3 N4 O2 S2 |
| Smiles: | COc1ccc(cc1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C#N)c2CCCCc2s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8635 |
| logD: | 4.5093 |
| logSw: | -5.0799 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.675 |
| InChI Key: | CRLCLLSRECJGPO-SFHVURJKSA-N |