tert-butyl 4-{4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1206 |
| Compound Name: | tert-butyl 4-{4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 549.58 |
| Molecular Formula: | C28 H31 N5 O7 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8474 |
| logD: | 4.8467 |
| logSw: | -4.491 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.439 |
| InChI Key: | DMGDBSUEDLXXGF-UHFFFAOYSA-N |