3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 4393-0192 |
| Compound Name: | 3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C21 H14 N2 O5 S |
| Smiles: | Cc1cc(c2ccccc2)sc1C(\C=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4218 |
| logD: | 5.3916 |
| logSw: | -5.476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.523 |
| InChI Key: | JSNLOSRGNFMXKQ-UHFFFAOYSA-N |