ethyl 2-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9729 |
| Compound Name: | ethyl 2-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 455 |
| Molecular Formula: | C19 H23 Cl N4 O3 S2 |
| Smiles: | CCn1c(C(NC(Nc2c(C(=O)OCC)c3CCC(C)Cc3s2)=S)=O)c(cn1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5951 |
| logD: | 2.489 |
| logSw: | -4.8685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.663 |
| InChI Key: | VIHDMFMNIMRASM-SNVBAGLBSA-N |