1-(cyclopent-3-ene-1-carbonyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Chemical Structure Depiction of
1-(cyclopent-3-ene-1-carbonyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
1-(cyclopent-3-ene-1-carbonyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0347 |
| Compound Name: | 1-(cyclopent-3-ene-1-carbonyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C20 H30 N4 O3 |
| Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCN(CC3)C(C1CC=CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5825 |
| logD: | 1.5825 |
| logSw: | -1.5241 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.043 |
| InChI Key: | XAYVAZISSXCJDE-UHFFFAOYSA-N |