8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | D635-0038 |
| Compound Name: | 8-chloro-7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 319.79 |
| Molecular Formula: | C17 H18 Cl N O3 |
| Smiles: | C1CC2=C(C1)c1cc(c(c(CN3CCCC3)c1OC2=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6291 |
| logD: | 2.6355 |
| logSw: | -3.712 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.709 |
| InChI Key: | QKKLEPZJDKEPEJ-UHFFFAOYSA-N |