3'-(2-methoxyethyl)-1-(propane-1-sulfonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Chemical Structure Depiction of
3'-(2-methoxyethyl)-1-(propane-1-sulfonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
3'-(2-methoxyethyl)-1-(propane-1-sulfonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-0924 |
| Compound Name: | 3'-(2-methoxyethyl)-1-(propane-1-sulfonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine] |
| Molecular Weight: | 370.51 |
| Molecular Formula: | C17 H30 N4 O3 S |
| Smiles: | CCCS(N1CCC2(CCc3nnc(CCOC)n3CC2)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7106 |
| logD: | 0.7102 |
| logSw: | -1.2071 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.458 |
| InChI Key: | BKSUAHAPSPQSFJ-UHFFFAOYSA-N |