2'-benzyl-1-(5-methylthiophene-2-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Chemical Structure Depiction of
2'-benzyl-1-(5-methylthiophene-2-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-benzyl-1-(5-methylthiophene-2-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0435 |
| Compound Name: | 2'-benzyl-1-(5-methylthiophene-2-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | Cc1ccc(C(N2CCC3(CCC4=NN(Cc5ccccc5)C(N4CC3)=O)CC2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0865 |
| logD: | 4.0865 |
| logSw: | -4.0792 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.911 |
| InChI Key: | QVRRYCCNNFRHCX-UHFFFAOYSA-N |