methyl 2-{[2-(4-fluorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl]amino}-4-methylbenzoate
Chemical Structure Depiction of
methyl 2-{[2-(4-fluorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl]amino}-4-methylbenzoate
methyl 2-{[2-(4-fluorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl]amino}-4-methylbenzoate
Compound characteristics
| Compound ID: | F924-0353 |
| Compound Name: | methyl 2-{[2-(4-fluorophenyl)-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl]amino}-4-methylbenzoate |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C23 H20 F N5 O3 S |
| Smiles: | Cc1ccc(C(=O)OC)c(c1)NC(N1CCC2=C(C1)Sc1nc(c3ccc(cc3)F)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2908 |
| logD: | 4.2895 |
| logSw: | -4.1892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.701 |
| InChI Key: | UPUWSHRTQACCME-UHFFFAOYSA-N |