3-[2-(4-chlorophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(4-chlorophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6090 |
| Compound Name: | 3-[2-(4-chlorophenyl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 344.71 |
| Molecular Formula: | C16 H9 Cl N2 O5 |
| Smiles: | C(=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)/C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8785 |
| logD: | 3.7817 |
| logSw: | -4.6339 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.776 |
| InChI Key: | JMUROTBPYCAULL-UHFFFAOYSA-N |