ethyl 2-[(1-ethyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1-ethyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(1-ethyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-6839 |
| Compound Name: | ethyl 2-[(1-ethyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | CCn1ccc(C(Nc2c(C(=O)OCC)c3CCCCc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8956 |
| logD: | 0.0704 |
| logSw: | -3.4127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.183 |
| InChI Key: | KPAJBGDOAXZQTM-UHFFFAOYSA-N |