4-chloro-N~1~,N'~1~-bis(2-methoxyphenyl)-2,4-dinitrobuta-1,3-diene-1,1-diamine
Chemical Structure Depiction of
4-chloro-N~1~,N'~1~-bis(2-methoxyphenyl)-2,4-dinitrobuta-1,3-diene-1,1-diamine
4-chloro-N~1~,N'~1~-bis(2-methoxyphenyl)-2,4-dinitrobuta-1,3-diene-1,1-diamine
Compound characteristics
| Compound ID: | 4872-0150 |
| Compound Name: | 4-chloro-N~1~,N'~1~-bis(2-methoxyphenyl)-2,4-dinitrobuta-1,3-diene-1,1-diamine |
| Molecular Weight: | 420.81 |
| Molecular Formula: | C18 H17 Cl N4 O6 |
| Smiles: | COc1ccccc1NC(=C(/C=C(/[N+]([O-])=O)[Cl])[N+]([O-])=O)Nc1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.315 |
| logD: | 4.29 |
| logSw: | -4.4954 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.856 |
| InChI Key: | XIBUBCUXGCBSRT-UHFFFAOYSA-N |