methyl 2-[(2-phenyl-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-phenyl-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(2-phenyl-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | F924-0543 |
| Compound Name: | methyl 2-[(2-phenyl-7,8-dihydro[1,2,4]triazolo[5',1':2,3][1,3]thiazolo[5,4-c]pyridine-6(5H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C24 H23 N5 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(N1CCC2=C(C1)Sc1nc(c3ccccc3)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9131 |
| logD: | 3.6774 |
| logSw: | -4.7199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.113 |
| InChI Key: | UVLQWGVIUWETJF-UHFFFAOYSA-N |