3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | D635-0055 |
| Compound Name: | 3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C19 H24 N2 O3 |
| Smiles: | CN1CCN(CC1)Cc1c(ccc2C3CCCCC=3C(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 2.5273 |
| logD: | 1.7283 |
| logSw: | -2.8215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.522 |
| InChI Key: | MERAKKJKSRLJNG-UHFFFAOYSA-N |