2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-diazinane
Chemical Structure Depiction of
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-diazinane
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-diazinane
Compound characteristics
| Compound ID: | 4872-0361 |
| Compound Name: | 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-1,3-diazinane |
| Molecular Weight: | 360.26 |
| Molecular Formula: | C14 H15 Cl2 N3 O2 S |
| Smiles: | Cc1ccc(cc1)SC(C(=C1NCCCN1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8979 |
| logD: | 3.8979 |
| logSw: | -4.2025 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.996 |
| InChI Key: | UXGPNMTVTDSDKM-UHFFFAOYSA-N |