6-{[butyl(methyl)amino]methyl}-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
6-{[butyl(methyl)amino]methyl}-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
6-{[butyl(methyl)amino]methyl}-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | 3130-1472 |
| Compound Name: | 6-{[butyl(methyl)amino]methyl}-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C18 H23 N O3 |
| Smiles: | CCCCN(C)Cc1c(ccc2C3CCCC=3C(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 3.3001 |
| logD: | 2.4166 |
| logSw: | -3.3979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.773 |
| InChI Key: | SLFDRGRERSTFEY-UHFFFAOYSA-N |