(2-ethoxyphenyl)(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
Chemical Structure Depiction of
(2-ethoxyphenyl)(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
(2-ethoxyphenyl)(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
Compound characteristics
| Compound ID: | S895-0725 |
| Compound Name: | (2-ethoxyphenyl)(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(c3ccccc3OCC)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.1093 |
| logD: | 2.1032 |
| logSw: | -2.6425 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.097 |
| InChI Key: | VIQHOPCXLITOHX-UHFFFAOYSA-N |