ethyl 2-({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8017-4035 |
| Compound Name: | ethyl 2-({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C25 H31 N3 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NS(c1ccc(cc1)N1C(C(C(C)C)=C(C)N1C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8303 |
| logD: | -1.3356 |
| logSw: | -4.1996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.539 |
| InChI Key: | FNSOGMSKDGGSJC-UHFFFAOYSA-N |