1-(2,4-dimethoxybenzoyl)-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-(2,4-dimethoxybenzoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
1-(2,4-dimethoxybenzoyl)-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: | S626-0330 |
| Compound Name: | 1-(2,4-dimethoxybenzoyl)-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: | 444.53 |
| Molecular Formula: | C23 H32 N4 O5 |
| Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCN(CC3)C(c1ccc(cc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7691 |
| logD: | 1.7691 |
| logSw: | -2.4637 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.659 |
| InChI Key: | IHANLHBBMLWGPA-UHFFFAOYSA-N |