2'-(2-methoxyethyl)-1-(2-methylpyridine-3-carbonyl)-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-(2-methylpyridine-3-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-(2-methoxyethyl)-1-(2-methylpyridine-3-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0625 |
| Compound Name: | 2'-(2-methoxyethyl)-1-(2-methylpyridine-3-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | Cc1c(cccn1)C(N1CCC2(CCC3=NN(CCOC)C(N3CC2)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0228 |
| logD: | 1.0226 |
| logSw: | -1.818 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.11 |
| InChI Key: | KKJZGBSEKURIPK-UHFFFAOYSA-N |