1-{[2-(2-chloro-4-nitroanilino)ethyl](2,4-dinitrophenyl)amino}propan-2-ol
Chemical Structure Depiction of
1-{[2-(2-chloro-4-nitroanilino)ethyl](2,4-dinitrophenyl)amino}propan-2-ol
1-{[2-(2-chloro-4-nitroanilino)ethyl](2,4-dinitrophenyl)amino}propan-2-ol
Compound characteristics
Compound ID: | 8008-2998 |
Compound Name: | 1-{[2-(2-chloro-4-nitroanilino)ethyl](2,4-dinitrophenyl)amino}propan-2-ol |
Molecular Weight: | 439.81 |
Molecular Formula: | C17 H18 Cl N5 O7 |
Smiles: | CC(CN(CCNc1ccc(cc1[Cl])[N+]([O-])=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4985 |
logD: | 3.4985 |
logSw: | -3.5254 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 128.902 |
InChI Key: | SQGZYCYQDLUUIW-NSHDSACASA-N |