N-{2-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N-methylthiophene-2-sulfonamide
Chemical Structure Depiction of
N-{2-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N-methylthiophene-2-sulfonamide
N-{2-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N-methylthiophene-2-sulfonamide
Compound characteristics
| Compound ID: | S565-1317 |
| Compound Name: | N-{2-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N-methylthiophene-2-sulfonamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C18 H23 N7 O3 S2 |
| Smiles: | CCn1cnnc1c1c2CN(CCc2n(C)n1)C(CN(C)S(c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2895 |
| logD: | -0.3061 |
| logSw: | -1.8973 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.974 |
| InChI Key: | APXYPRMQNZTFKH-UHFFFAOYSA-N |