8-chloro-7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
Compound ID: | D635-0128 |
Compound Name: | 8-chloro-7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
Molecular Weight: | 348.83 |
Molecular Formula: | C18 H21 Cl N2 O3 |
Smiles: | CN1CCN(CC1)Cc1c(c(cc2C3CCCC=3C(=O)Oc12)[Cl])O |
Stereo: | ACHIRAL |
logP: | 2.8156 |
logD: | 2.0167 |
logSw: | -3.3758 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.819 |
InChI Key: | BFNXVPPMWRLXJL-UHFFFAOYSA-N |