2'-(2-methoxyethyl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-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-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-(2-methoxyethyl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0375 |
| Compound Name: | 2'-(2-methoxyethyl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C23 H36 N6 O3 |
| Smiles: | Cc1c(CCC(N2CCC3(CCC4=NN(CCOC)C(N4CC3)=O)CC2)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.5841 |
| logD: | 0.5839 |
| logSw: | -0.2147 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.797 |
| InChI Key: | JQDWSQCYDIYZET-UHFFFAOYSA-N |