ethyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6228-2354 |
| Compound Name: | ethyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C21 H22 Cl N3 O4 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1ccc(Cn2cc(cn2)[Cl])o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6946 |
| logD: | 1.6904 |
| logSw: | -4.9838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.476 |
| InChI Key: | OXIAKLAIGOIMLK-UHFFFAOYSA-N |