ethyl 1-{6-[(3-hydroxypropyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{6-[(3-hydroxypropyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperidine-3-carboxylate
ethyl 1-{6-[(3-hydroxypropyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | K901-0924 |
| Compound Name: | ethyl 1-{6-[(3-hydroxypropyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperidine-3-carboxylate |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C17 H23 N5 O6 |
| Smiles: | CCOC(C1CCCN(C1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4318 |
| logD: | 2.4318 |
| logSw: | -2.5994 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.022 |
| InChI Key: | AXWYKXUCKGABQH-NSHDSACASA-N |