ethyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0205 |
| Compound Name: | ethyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 469.02 |
| Molecular Formula: | C20 H25 Cl N4 O3 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(NC(c3c(c(C)nn3C)[Cl])=O)=S)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7588 |
| logD: | 2.6526 |
| logSw: | -5.0846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.577 |
| InChI Key: | MAHHBTMGNWAFNM-LLVKDONJSA-N |