2'-(2-methoxyethyl)-1-[(3-methoxyphenyl)acetyl]-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-methoxyphenyl)acetyl]-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-methoxyphenyl)acetyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0318 |
| Compound Name: | 2'-(2-methoxyethyl)-1-[(3-methoxyphenyl)acetyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C23 H32 N4 O4 |
| Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCN(CC3)C(Cc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.067 |
| logD: | 2.067 |
| logSw: | -2.3054 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.501 |
| InChI Key: | KNGOQIWCPIXOKX-UHFFFAOYSA-N |