4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0218 |
| Compound Name: | 4-{[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C25 H28 N2 O6 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)C(c1ccc(cc1OC)OC)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.5826 |
| logD: | 2.582 |
| logSw: | -3.132 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.132 |
| InChI Key: | YRYXTCRIIJYWCQ-UHFFFAOYSA-N |