methyl 3-[(2-phenyl-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(2-phenyl-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl)amino]benzoate
methyl 3-[(2-phenyl-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | F924-0526 |
| Compound Name: | methyl 3-[(2-phenyl-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl)amino]benzoate |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | COC(c1cccc(c1)NC(N1CCC2=C(C1)Sc1nc(c3ccccc3)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2286 |
| logD: | 4.2286 |
| logSw: | -4.2786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.398 |
| InChI Key: | CUDLQJSRMUZGKW-UHFFFAOYSA-N |