(2,4-dimethylphenyl)[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
Chemical Structure Depiction of
(2,4-dimethylphenyl)[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
(2,4-dimethylphenyl)[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
Compound characteristics
| Compound ID: | S895-0957 |
| Compound Name: | (2,4-dimethylphenyl)[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C23 H32 N4 O2 |
| Smiles: | Cc1ccc(C(N2CCC3(CCc4nnc(CCOC)n4CC3)CC2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2168 |
| logD: | 2.2164 |
| logSw: | -2.6641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.23 |
| InChI Key: | LHFFDXVSAYEQGA-UHFFFAOYSA-N |