4-bromo-N~1~,N~1~,N'~1~,N'~1~-tetrabutyl-3,4-dichloro-2-nitrobuta-1,3-diene-1,1-diamine
Chemical Structure Depiction of
4-bromo-N~1~,N~1~,N'~1~,N'~1~-tetrabutyl-3,4-dichloro-2-nitrobuta-1,3-diene-1,1-diamine
4-bromo-N~1~,N~1~,N'~1~,N'~1~-tetrabutyl-3,4-dichloro-2-nitrobuta-1,3-diene-1,1-diamine
Compound characteristics
| Compound ID: | 0819-0824 |
| Compound Name: | 4-bromo-N~1~,N~1~,N'~1~,N'~1~-tetrabutyl-3,4-dichloro-2-nitrobuta-1,3-diene-1,1-diamine |
| Molecular Weight: | 501.33 |
| Molecular Formula: | C20 H36 Br Cl2 N3 O2 |
| Smiles: | CCCCN(CCCC)C(=C(/C(=C(/[Cl])[Br])[Cl])[N+]([O-])=O)N(CCCC)CCCC |
| Stereo: | ACHIRAL |
| logP: | 8.5545 |
| logD: | 8.5545 |
| logSw: | -6.5991 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.536 |
| InChI Key: | ODHBIRSGQIBOQK-UHFFFAOYSA-N |