2-({[2,2,2-trichloro-1-(4-methylbenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-({[2,2,2-trichloro-1-(4-methylbenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-({[2,2,2-trichloro-1-(4-methylbenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 1309-1269 |
| Compound Name: | 2-({[2,2,2-trichloro-1-(4-methylbenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 519.9 |
| Molecular Formula: | C20 H21 Cl3 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C(N)=O)c2CCCCc2s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6216 |
| logD: | 2.9987 |
| logSw: | -4.5471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 77.134 |
| InChI Key: | MQUDYZRTJSYRDA-SFHVURJKSA-N |