3-hydroxy-4-[(pyrrolidin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-hydroxy-4-[(pyrrolidin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-hydroxy-4-[(pyrrolidin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | D635-0052 |
| Compound Name: | 3-hydroxy-4-[(pyrrolidin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C18 H21 N O3 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2ccc(c1CN1CCCC1)O |
| Stereo: | ACHIRAL |
| logP: | 3.3407 |
| logD: | 2.0035 |
| logSw: | -3.2801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.412 |
| InChI Key: | HBXCIPLEXAZABK-UHFFFAOYSA-N |