N-{[5-(2,1,3-benzothiadiazole-4-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide
Chemical Structure Depiction of
N-{[5-(2,1,3-benzothiadiazole-4-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide
N-{[5-(2,1,3-benzothiadiazole-4-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide
Compound characteristics
Compound ID: | L871-0053 |
Compound Name: | N-{[5-(2,1,3-benzothiadiazole-4-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide |
Molecular Weight: | 482.58 |
Molecular Formula: | C22 H22 N6 O3 S2 |
Smiles: | CC(N(Cc1c2CN(CCc2n(C)n1)S(c1cccc2c1nsn2)(=O)=O)c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 2.1874 |
logD: | 2.1874 |
logSw: | -2.3871 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 84.167 |
InChI Key: | LQIPRVTUJHKBQT-UHFFFAOYSA-N |