tert-butyl 4-{1-(4-chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(4-chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(4-chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0638 |
| Compound Name: | tert-butyl 4-{1-(4-chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 539.03 |
| Molecular Formula: | C28 H31 Cl N4 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[Cl])C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5165 |
| logD: | 5.5157 |
| logSw: | -5.8984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.057 |
| InChI Key: | KQFALYYZGXXVEI-UHFFFAOYSA-N |