7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | 3130-1465 |
| Compound Name: | 7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CN1CCN(CC1)Cc1c(ccc2C3CCCC=3C(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 1.73 |
| logD: | 0.931 |
| logSw: | -2.6902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.888 |
| InChI Key: | HGBGITMGCCVXPV-UHFFFAOYSA-N |