2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl 4-propoxybenzoate
Chemical Structure Depiction of
2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl 4-propoxybenzoate
2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl 4-propoxybenzoate
Compound characteristics
| Compound ID: | Y202-9907 |
| Compound Name: | 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl 4-propoxybenzoate |
| Molecular Weight: | 386.36 |
| Molecular Formula: | C18 H18 N4 O6 |
| Smiles: | CCCOc1ccc(cc1)C(=O)OCCNc1ccc2c(c1[N+]([O-])=O)non2 |
| Stereo: | ACHIRAL |
| logP: | 5.1978 |
| logD: | 5.1978 |
| logSw: | -5.1177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.952 |
| InChI Key: | AXSGPAOYKYYARO-UHFFFAOYSA-N |