8-chloro-7-hydroxy-6-({[(oxolan-2-yl)methyl]amino}methyl)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-hydroxy-6-({[(oxolan-2-yl)methyl]amino}methyl)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-hydroxy-6-({[(oxolan-2-yl)methyl]amino}methyl)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-0026 |
| Compound Name: | 8-chloro-7-hydroxy-6-({[(oxolan-2-yl)methyl]amino}methyl)-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 386.27 |
| Molecular Formula: | C18 H20 Cl N O4 |
| Salt: | HCl |
| Smiles: | C1CC2=C(C1)c1cc(c(c(CNCC3CCCO3)c1OC2=O)O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0044 |
| logD: | 2.7788 |
| logSw: | -3.4979 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.03 |
| InChI Key: | DCWNAROZAKDTEK-SNVBAGLBSA-N |