2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
Compound ID: | C311-0235 |
Compound Name: | 2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
Molecular Weight: | 425.91 |
Molecular Formula: | C23 H24 Cl N3 O3 |
Smiles: | C1CCN(C1)CCNC(CN1C(/C(=C\c2cccc(c2)[Cl])Oc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1932 |
logD: | 1.2545 |
logSw: | -3.8438 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.694 |
InChI Key: | UJEMBHKAHAPNQI-UHFFFAOYSA-N |