2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[3-(butylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[3-(butylsulfanyl)propyl]acetamide
2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[3-(butylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-6395 |
| Compound Name: | 2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[3-(butylsulfanyl)propyl]acetamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C24 H28 N2 O3 S |
| Smiles: | CCCCSCCCNC(CN1C(/C(=C\c2ccccc2)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3095 |
| logD: | 4.3095 |
| logSw: | -4.2818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.617 |
| InChI Key: | PLIWJSPLGJQPJS-UHFFFAOYSA-N |