1-(1-ethyl-1H-pyrazole-4-sulfonyl)-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Chemical Structure Depiction of
1-(1-ethyl-1H-pyrazole-4-sulfonyl)-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
1-(1-ethyl-1H-pyrazole-4-sulfonyl)-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
Compound characteristics
| Compound ID: | S895-1269 |
| Compound Name: | 1-(1-ethyl-1H-pyrazole-4-sulfonyl)-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine] |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C19 H30 N6 O2 S |
| Smiles: | CCn1cc(cn1)S(N1CCC2(CCc3nnc(C(C)C)n3CC2)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3321 |
| logD: | 1.3123 |
| logSw: | -1.5535 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.476 |
| InChI Key: | CEODBQUPWSZUMR-UHFFFAOYSA-N |