8-chloro-6-[(diethylamino)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-6-[(diethylamino)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-6-[(diethylamino)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | D635-0042 |
| Compound Name: | 8-chloro-6-[(diethylamino)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 321.8 |
| Molecular Formula: | C17 H20 Cl N O3 |
| Smiles: | CCN(CC)Cc1c(c(cc2C3CCCC=3C(=O)Oc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 3.8964 |
| logD: | 3.1706 |
| logSw: | -4.033 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.043 |
| InChI Key: | WHSIJRGPMOMCCX-UHFFFAOYSA-N |