N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamide
Compound characteristics
| Compound ID: | G827-0173 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamide |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C22 H23 N7 O3 |
| Smiles: | Cc1c(CCC(NCc2ccc3c(c2)OCO3)=O)c(C)n(c2ccc3nnc(C)n3n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.342 |
| logD: | 1.3419 |
| logSw: | -2.1057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.643 |
| InChI Key: | IRMYCDVVVNHHFH-UHFFFAOYSA-N |