2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(pyrrolidin-1-yl)propyl]acetamide
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-5382 |
| Compound Name: | 2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(pyrrolidin-1-yl)propyl]acetamide |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C24 H26 Cl N3 O3 |
| Smiles: | C1CCN(C1)CCCNC(CN1C(/C(=C\c2cccc(c2)[Cl])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3164 |
| logD: | 0.2259 |
| logSw: | -3.8951 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.694 |
| InChI Key: | VVWUAPATMXUNGP-UHFFFAOYSA-N |