2-[2-(5-nitrothiophen-2-yl)ethenyl]-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
2-[2-(5-nitrothiophen-2-yl)ethenyl]-4H-3,1-benzoxazin-4-one
2-[2-(5-nitrothiophen-2-yl)ethenyl]-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8011-0191 |
| Compound Name: | 2-[2-(5-nitrothiophen-2-yl)ethenyl]-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 300.29 |
| Molecular Formula: | C14 H8 N2 O4 S |
| Smiles: | C(=C/c1ccc([N+]([O-])=O)s1)\C1=Nc2ccccc2C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.1019 |
| logD: | 3.1019 |
| logSw: | -3.8364 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.083 |
| InChI Key: | VYRCFJLNSPMBBR-UHFFFAOYSA-N |