2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(prop-2-en-1-yl)acetamide
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(prop-2-en-1-yl)acetamide
Compound characteristics
Compound ID: | J079-0920 |
Compound Name: | 2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(prop-2-en-1-yl)acetamide |
Molecular Weight: | 369.46 |
Molecular Formula: | C21 H27 N3 O3 |
Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(NCC=C)=O)=CC(=O)O2 |
Stereo: | ACHIRAL |
logP: | 1.8452 |
logD: | 1.784 |
logSw: | -2.8171 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.503 |
InChI Key: | BQKFDDOSXAHYNP-UHFFFAOYSA-N |