2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
Chemical Structure Depiction of
2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
Compound characteristics
| Compound ID: | K786-2141 |
| Compound Name: | 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate |
| Molecular Weight: | 328.71 |
| Molecular Formula: | C12 H13 Cl N4 O5 |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7236 |
| logD: | 3.7236 |
| logSw: | -4.0822 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.981 |
| InChI Key: | ZMJJGVAUWPLOLJ-UHFFFAOYSA-N |