6-(ethanesulfonyl)-3-(2-oxo-4-phenylbut-3-en-1-ylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-(ethanesulfonyl)-3-(2-oxo-4-phenylbut-3-en-1-ylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-(ethanesulfonyl)-3-(2-oxo-4-phenylbut-3-en-1-ylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6020 |
| Compound Name: | 6-(ethanesulfonyl)-3-(2-oxo-4-phenylbut-3-en-1-ylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C20 H17 N O5 S |
| Smiles: | CCS(c1ccc2c(c1)NC(=C\C(/C=C/c1ccccc1)=O)\C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8567 |
| logD: | 2.813 |
| logSw: | -3.4959 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.939 |
| InChI Key: | XNZDGAQIFQIDBD-UHFFFAOYSA-N |