3-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-4-methoxybenzaldehyde
3-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | J079-0840 |
| Compound Name: | 3-({4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}methyl)-4-methoxybenzaldehyde |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)Cc1cc(C=O)ccc1OC)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.0511 |
| logD: | 2.8901 |
| logSw: | -3.2767 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.708 |
| InChI Key: | PAWKBFDJAWSXGN-UHFFFAOYSA-N |