methyl 3-{[2-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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: | F924-0430 |
| Compound Name: | methyl 3-{[2-(4-methylphenyl)-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: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc2n(C3CCN(CC=3S2)C(Nc2cccc(c2)C(=O)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.757 |
| logD: | 4.757 |
| logSw: | -4.4562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.398 |
| InChI Key: | XIIIUANFHUMBRA-UHFFFAOYSA-N |