2'-(2-methoxyethyl)-1-(3-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'-(2-methoxyethyl)-1-(3-methylthiophene-2-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-(2-methoxyethyl)-1-(3-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: | S626-0613 |
| Compound Name: | 2'-(2-methoxyethyl)-1-(3-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: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | Cc1ccsc1C(N1CCC2(CCC3=NN(CCOC)C(N3CC2)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.189 |
| logD: | 2.189 |
| logSw: | -2.2904 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.503 |
| InChI Key: | DSVBQYXQPAKFBD-UHFFFAOYSA-N |