N-tert-butyl-2-{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetamide
Chemical Structure Depiction of
N-tert-butyl-2-{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetamide
N-tert-butyl-2-{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetamide
Compound characteristics
| Compound ID: | G935-0090 |
| Compound Name: | N-tert-butyl-2-{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetamide |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C26 H37 N5 O4 S |
| Smiles: | Cc1c(c(C)n(CC(NC(C)(C)C)=O)n1)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0848 |
| logD: | 2.0848 |
| logSw: | -2.6778 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.108 |
| InChI Key: | NPSRJKTYSYINRH-UHFFFAOYSA-N |