ethyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6228-1542 |
| Compound Name: | ethyl 2-({5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 478.36 |
| Molecular Formula: | C20 H20 Br N3 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(Cn2cc(cn2)[Br])o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3765 |
| logD: | 1.3723 |
| logSw: | -4.205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.145 |
| InChI Key: | HDZFNNIFECPEFD-UHFFFAOYSA-N |