1-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S895-0944 |
| Compound Name: | 1-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | COCCc1nnc2CCC3(CCN(CC3)C(Cc3cccc(c3)OC)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.5724 |
| logD: | 1.572 |
| logSw: | -1.6503 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.246 |
| InChI Key: | IIELVBWOXYWITO-UHFFFAOYSA-N |