4-[(dimethylamino)methyl]-3-hydroxy-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
4-[(dimethylamino)methyl]-3-hydroxy-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
4-[(dimethylamino)methyl]-3-hydroxy-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | D635-0028 |
| Compound Name: | 4-[(dimethylamino)methyl]-3-hydroxy-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C17 H21 N O3 |
| Smiles: | CN(C)Cc1c(ccc2C3CCCCCC=3C(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 3.1845 |
| logD: | 2.4078 |
| logSw: | -3.2173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.531 |
| InChI Key: | IHXVIQPMKGRQAY-UHFFFAOYSA-N |