N-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | F924-0065 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carboxamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | COc1ccc(cc1)c1nc2n(C3CCN(CC=3S2)C(Nc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8778 |
| logD: | 3.8778 |
| logSw: | -4.0923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.884 |
| InChI Key: | OXOGSWSOBGXLMG-UHFFFAOYSA-N |