N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
Chemical Structure Depiction of
N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y020-7575 |
| Compound Name: | N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide |
| Molecular Weight: | 309.34 |
| Molecular Formula: | C13 H15 N3 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)NC(CC1C(NCCS1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3101 |
| logD: | 1.308 |
| logSw: | -2.4365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.469 |
| InChI Key: | DBTJMKVLNTUMQK-NSHDSACASA-N |