3-[(7-{[(2-chlorophenyl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate
Chemical Structure Depiction of
3-[(7-{[(2-chlorophenyl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate
3-[(7-{[(2-chlorophenyl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate
Compound characteristics
| Compound ID: | K781-7973 |
| Compound Name: | 3-[(7-{[(2-chlorophenyl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate |
| Molecular Weight: | 419.82 |
| Molecular Formula: | C18 H18 Cl N5 O5 |
| Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)NCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.228 |
| logD: | 4.228 |
| logSw: | -4.4917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.214 |
| InChI Key: | APOQCLSEMIFRSL-UHFFFAOYSA-N |