7-methyl-9-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-methyl-9-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-methyl-9-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | IB06-7265 |
| Compound Name: | 7-methyl-9-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C25 H26 N2 O4 |
| Smiles: | Cc1cc(c2C3CCCC=3C(=O)Oc2c1)OCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.49 |
| logD: | 3.49 |
| logSw: | -4.27 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 98.73 |
| InChI Key: | ZVRDTBNSIKPZSH-UHFFFAOYSA-N |