2-(2-nitroanilino)-2-oxoethyl N-benzoylmethioninate
Chemical Structure Depiction of
2-(2-nitroanilino)-2-oxoethyl N-benzoylmethioninate
2-(2-nitroanilino)-2-oxoethyl N-benzoylmethioninate
Compound characteristics
| Compound ID: | 8006-8872 |
| Compound Name: | 2-(2-nitroanilino)-2-oxoethyl N-benzoylmethioninate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C20 H21 N3 O6 S |
| Smiles: | CSCCC(C(=O)OCC(Nc1ccccc1[N+]([O-])=O)=O)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4248 |
| logD: | 2.4111 |
| logSw: | -2.847 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.943 |
| InChI Key: | OOGANFKHBATHCR-INIZCTEOSA-N |