N-(1,3-benzothiazol-2-yl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-(1,3-benzothiazol-2-yl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D527-0197 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C24 H22 N6 O2 S |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(Nc2nc3ccccc3s2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5417 |
| logD: | 4.5414 |
| logSw: | -4.2425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.118 |
| InChI Key: | LHDVLVGQYSSXNQ-UHFFFAOYSA-N |