8-chloro-6-[(dimethylamino)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-6-[(dimethylamino)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-6-[(dimethylamino)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | D635-0043 |
| Compound Name: | 8-chloro-6-[(dimethylamino)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 293.75 |
| Molecular Formula: | C15 H16 Cl N O3 |
| Smiles: | CN(C)Cc1c(c(cc2C3CCCC=3C(=O)Oc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 2.977 |
| logD: | 2.482 |
| logSw: | -3.3899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.497 |
| InChI Key: | CQOFOEYEPCRLST-UHFFFAOYSA-N |