5-(2,1,3-benzothiadiazole-4-sulfonyl)-2-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Chemical Structure Depiction of
5-(2,1,3-benzothiadiazole-4-sulfonyl)-2-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
5-(2,1,3-benzothiadiazole-4-sulfonyl)-2-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Compound characteristics
Compound ID: | P221-1310 |
Compound Name: | 5-(2,1,3-benzothiadiazole-4-sulfonyl)-2-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine |
Molecular Weight: | 412.49 |
Molecular Formula: | C18 H16 N6 O2 S2 |
Smiles: | C1CN(Cc2cc(c3cccnc3)nn2C1)S(c1cccc2c1nsn2)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8888 |
logD: | 1.7878 |
logSw: | -1.9297 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 75.95 |
InChI Key: | MKRBVPTZGAAIJQ-UHFFFAOYSA-N |