3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate
Chemical Structure Depiction of
3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate
3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate
Compound characteristics
| Compound ID: | K786-2140 |
| Compound Name: | 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate |
| Molecular Weight: | 314.68 |
| Molecular Formula: | C11 H11 Cl N4 O5 |
| Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9425 |
| logD: | 2.9425 |
| logSw: | -3.5834 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.678 |
| InChI Key: | LUOYBHDTCJLNED-UHFFFAOYSA-N |