3-hydroxy-4-methyl-2-[(pyrrolidin-1-yl)methyl]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
3-hydroxy-4-methyl-2-[(pyrrolidin-1-yl)methyl]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
3-hydroxy-4-methyl-2-[(pyrrolidin-1-yl)methyl]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | Y043-7220 |
| Compound Name: | 3-hydroxy-4-methyl-2-[(pyrrolidin-1-yl)methyl]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 327.42 |
| Molecular Formula: | C20 H25 N O3 |
| Smiles: | Cc1c(c(CN2CCCC2)cc2C3CCCCCC=3C(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 4.4143 |
| logD: | 2.2646 |
| logSw: | -4.1226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.674 |
| InChI Key: | QGYKMXFREOWYIR-UHFFFAOYSA-N |