2-benzylidene-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
2-benzylidene-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | F389-0952 |
| Compound Name: | 2-benzylidene-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CCCSCCCNC(c1ccc2c(c1)NC(/C(=C/c1ccccc1)O2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.925 |
| logD: | 3.9249 |
| logSw: | -3.9936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.334 |
| InChI Key: | DWZLDXDBJXTWKV-UHFFFAOYSA-N |