3-({4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-({4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-4-methoxybenzaldehyde
3-({4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | J079-0608 |
| Compound Name: | 3-({4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-4-methoxybenzaldehyde |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C25 H28 N2 O5 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)Cc1cc(C=O)ccc1OC)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.6054 |
| logD: | 2.4444 |
| logSw: | -3.1271 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.832 |
| InChI Key: | QKPSZJIIJYKERL-UHFFFAOYSA-N |