4,4-bis(azepan-1-yl)-1,1-dichloro-3-nitrobut-3-en-2-one
Chemical Structure Depiction of
4,4-bis(azepan-1-yl)-1,1-dichloro-3-nitrobut-3-en-2-one
4,4-bis(azepan-1-yl)-1,1-dichloro-3-nitrobut-3-en-2-one
Compound characteristics
| Compound ID: | 4872-0748 |
| Compound Name: | 4,4-bis(azepan-1-yl)-1,1-dichloro-3-nitrobut-3-en-2-one |
| Molecular Weight: | 378.3 |
| Molecular Formula: | C16 H25 Cl2 N3 O3 |
| Smiles: | C1CCCN(CC1)C(=C(C(C([Cl])[Cl])=O)[N+]([O-])=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3597 |
| logD: | 4.3597 |
| logSw: | -4.2336 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.354 |
| InChI Key: | IPININQAOAZIHA-UHFFFAOYSA-N |