ethyl 4-{6-[(3-hydroxypropyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{6-[(3-hydroxypropyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate
ethyl 4-{6-[(3-hydroxypropyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K901-0899 |
| Compound Name: | ethyl 4-{6-[(3-hydroxypropyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C16 H22 N6 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2368 |
| logD: | 2.2368 |
| logSw: | -2.5718 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.115 |
| InChI Key: | JBWCEAJLKSDAMB-UHFFFAOYSA-N |