N-butyl-N-[1,1-dichloro-3-(1,3-dithiolan-2-ylidene)-3-nitroprop-1-en-2-yl]butan-1-amine
Chemical Structure Depiction of
N-butyl-N-[1,1-dichloro-3-(1,3-dithiolan-2-ylidene)-3-nitroprop-1-en-2-yl]butan-1-amine
N-butyl-N-[1,1-dichloro-3-(1,3-dithiolan-2-ylidene)-3-nitroprop-1-en-2-yl]butan-1-amine
Compound characteristics
| Compound ID: | 4872-0428 |
| Compound Name: | N-butyl-N-[1,1-dichloro-3-(1,3-dithiolan-2-ylidene)-3-nitroprop-1-en-2-yl]butan-1-amine |
| Molecular Weight: | 385.37 |
| Molecular Formula: | C14 H22 Cl2 N2 O2 S2 |
| Smiles: | CCCCN(CCCC)C(C(=C1SCCS1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9157 |
| logD: | 5.9155 |
| logSw: | -5.8723 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.777 |
| InChI Key: | LWUSRDYDMBFNDV-UHFFFAOYSA-N |