2-(4-nitrophenyl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one
2-(4-nitrophenyl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one
Compound characteristics
| Compound ID: | 4488-1509 |
| Compound Name: | 2-(4-nitrophenyl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C17 H14 N2 O4 S |
| Smiles: | C1CCc2c3C(=O)OC(c4ccc(cc4)[N+]([O-])=O)=Nc3sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2077 |
| logD: | 4.2077 |
| logSw: | -4.5378 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.721 |
| InChI Key: | JMVPNSYAXYQBMG-UHFFFAOYSA-N |