N-(2,2-dimethoxyethyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
N-(2,2-dimethoxyethyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0054 |
| Compound Name: | N-(2,2-dimethoxyethyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 268.23 |
| Molecular Formula: | C10 H12 N4 O5 |
| Smiles: | COC(CNc1ccc2c(c1[N+]([O-])=O)non2)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6536 |
| logD: | 1.6536 |
| logSw: | -2.0698 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.41 |
| InChI Key: | JMAICKXCVRNZME-UHFFFAOYSA-N |