tert-butyl 4-{4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1148 |
| Compound Name: | tert-butyl 4-{4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 512.59 |
| Molecular Formula: | C24 H28 N6 O5 S |
| Smiles: | Cc1csc(NC(c2cnn(c3ccc(cc3)[N+]([O-])=O)c2C2CCN(CC2)C(=O)OC(C)(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5336 |
| logD: | 5.4188 |
| logSw: | -5.226 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.469 |
| InChI Key: | XXQNNVVVCYIJBR-UHFFFAOYSA-N |