ethyl 4-{3-[1-(2-chloro-4-fluorophenyl)-1,5-dihydro[2]benzopyrano[4,3-b]pyrrol-2-yl]propanoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[1-(2-chloro-4-fluorophenyl)-1,5-dihydro[2]benzopyrano[4,3-b]pyrrol-2-yl]propanoyl}piperazine-1-carboxylate
ethyl 4-{3-[1-(2-chloro-4-fluorophenyl)-1,5-dihydro[2]benzopyrano[4,3-b]pyrrol-2-yl]propanoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V010-7356 |
| Compound Name: | ethyl 4-{3-[1-(2-chloro-4-fluorophenyl)-1,5-dihydro[2]benzopyrano[4,3-b]pyrrol-2-yl]propanoyl}piperazine-1-carboxylate |
| Molecular Weight: | 511.98 |
| Molecular Formula: | C27 H27 Cl F N3 O4 |
| Smiles: | CCOC(N1CCN(CC1)C(CCc1cc2c(c3ccccc3CO2)n1c1ccc(cc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4419 |
| logD: | 4.4419 |
| logSw: | -4.6366 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.753 |
| InChI Key: | QIHZZCUQGIHZAD-UHFFFAOYSA-N |