3-methyl-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
3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide
3-methyl-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: | 1309-1243 |
| Compound Name: | 3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 501.88 |
| Molecular Formula: | C20 H19 Cl3 N4 O S2 |
| Smiles: | Cc1cccc(c1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C#N)c2CCCCc2s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2522 |
| logD: | 4.2628 |
| logSw: | -5.8761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.131 |
| InChI Key: | DQSNGYQSAYNTIH-SFHVURJKSA-N |