N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)acetamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)acetamide
N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)acetamide
Compound characteristics
| Compound ID: | 1309-1234 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)acetamide |
| Molecular Weight: | 425.78 |
| Molecular Formula: | C14 H15 Cl3 N4 O S2 |
| Smiles: | CC(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C#N)c2CCCCc2s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3046 |
| logD: | 3.2764 |
| logSw: | -4.1054 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.302 |
| InChI Key: | OFEPDNXTBVKZGW-LBPRGKRZSA-N |