N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0943 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C26 H29 N3 O5 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(NCc1ccc3c(c1)OCO3)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.0238 |
| logD: | 2.9626 |
| logSw: | -3.383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.506 |
| InChI Key: | JKXNXRIYSZORCP-UHFFFAOYSA-N |