N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide
Compound characteristics
Compound ID: | F924-0237 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide |
Molecular Weight: | 453.91 |
Molecular Formula: | C21 H16 Cl N5 O3 S |
Smiles: | C1CN(CC2=C1n1c(nc(c3ccc(cc3)[Cl])n1)S2)C(Nc1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.4901 |
logD: | 4.4901 |
logSw: | -4.6556 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.34 |
InChI Key: | WTGVGBQWSOEQJN-UHFFFAOYSA-N |