N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamide
Compound characteristics
| Compound ID: | G402-0290 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C23 H33 N5 O3 S |
| Smiles: | Cc1c(c(C)n(CCC(NCCN2CCc3ccccc3C2)=O)n1)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0222 |
| logD: | 0.5858 |
| logSw: | -2.2648 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.533 |
| InChI Key: | AHXYCVMLNKPXMJ-UHFFFAOYSA-N |