7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 4393-0204 |
| Compound Name: | 7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 316.29 |
| Molecular Formula: | C14 H8 N2 O5 S |
| Smiles: | C(=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)/C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2205 |
| logD: | 3.0812 |
| logSw: | -3.6463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.795 |
| InChI Key: | FIQOICBWHOUEEI-UHFFFAOYSA-N |