2-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 1503-0089 |
| Compound Name: | 2-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 485.88 |
| Molecular Formula: | C17 H23 Cl3 N4 O2 S2 |
| Smiles: | CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C(N)=O)c2CCCCc2s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1675 |
| logD: | 3.0907 |
| logSw: | -3.776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 77.192 |
| InChI Key: | LJAOLUNEUVKNRO-HNNXBMFYSA-N |