2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-oxazolidine
Chemical Structure Depiction of
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-oxazolidine
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-oxazolidine
Compound characteristics
| Compound ID: | 4872-0311 |
| Compound Name: | 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-oxazolidine |
| Molecular Weight: | 347.22 |
| Molecular Formula: | C13 H12 Cl2 N2 O3 S |
| Smiles: | Cc1ccc(cc1)SC(/C(=C1/NCCO1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0722 |
| logD: | 4.0715 |
| logSw: | -4.3232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.726 |
| InChI Key: | LNBXNMPGRSQMJD-UHFFFAOYSA-N |