8-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-4857 |
| Compound Name: | 8-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 394.86 |
| Molecular Formula: | C22 H19 Cl N2 O3 |
| Smiles: | Cc1cc2c(C3CCCC=3C(=O)O2)c(c1C1CC(c2ccc(cc2)[Cl])NN=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8409 |
| logD: | 4.6959 |
| logSw: | -4.8772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.246 |
| InChI Key: | LHAUFLMPFNUHLS-INIZCTEOSA-N |