ethyl 6-ethyl-2-[(1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-[(1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-[(1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7940 |
| Compound Name: | ethyl 6-ethyl-2-[(1-methyl-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(c3ccnn3C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4909 |
| logD: | -0.2129 |
| logSw: | -4.0032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.449 |
| InChI Key: | NCYBWEBRWZZGFC-LLVKDONJSA-N |