ethyl 1-{6-[(2-hydroxyethyl)(methyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{6-[(2-hydroxyethyl)(methyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperidine-4-carboxylate
ethyl 1-{6-[(2-hydroxyethyl)(methyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | K901-0426 |
| Compound Name: | ethyl 1-{6-[(2-hydroxyethyl)(methyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperidine-4-carboxylate |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C17 H23 N5 O6 |
| Smiles: | CCOC(C1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)N(C)CCO)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5214 |
| logD: | 2.5214 |
| logSw: | -2.3826 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.343 |
| InChI Key: | JTJFTMOAIGCEEP-UHFFFAOYSA-N |