2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(2-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(2-ethylphenyl)acetamide
2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(2-ethylphenyl)acetamide
Compound characteristics
Compound ID: | J079-0810 |
Compound Name: | 2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}-N-(2-ethylphenyl)acetamide |
Molecular Weight: | 433.55 |
Molecular Formula: | C26 H31 N3 O3 |
Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1ccccc1CC)=O)=CC(=O)O2 |
Stereo: | ACHIRAL |
logP: | 4.0325 |
logD: | 3.9713 |
logSw: | -3.9803 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.37 |
InChI Key: | GSCRTASNXTYWIJ-UHFFFAOYSA-N |