ethyl 4-{6-[(2-hydroxyethyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{6-[(2-hydroxyethyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate
ethyl 4-{6-[(2-hydroxyethyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C091-0031 |
| Compound Name: | ethyl 4-{6-[(2-hydroxyethyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C15 H20 N6 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCO)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2524 |
| logD: | 2.2524 |
| logSw: | -2.5431 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.115 |
| InChI Key: | UPKZIQATUXZIOK-UHFFFAOYSA-N |