tert-butyl 4-{1-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(3-chloro-2-methylphenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-2200 |
| Compound Name: | tert-butyl 4-{1-(3-chloro-2-methylphenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 553.06 |
| Molecular Formula: | C29 H33 Cl N4 O5 |
| Smiles: | Cc1c(cccc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.954 |
| logD: | 5.9533 |
| logSw: | -5.9901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.757 |
| InChI Key: | OGNBKKGMMZCGRR-UHFFFAOYSA-N |