2-chloro-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
2-chloro-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
2-chloro-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | D635-0048 |
| Compound Name: | 2-chloro-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 362.85 |
| Molecular Formula: | C19 H23 Cl N2 O3 |
| Smiles: | CN1CCN(CC1)Cc1c(c(cc2C3CCCCC=3C(=O)Oc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 3.6129 |
| logD: | 2.814 |
| logSw: | -3.8275 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.453 |
| InChI Key: | ZAWDSXYOJNYYNH-UHFFFAOYSA-N |