2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}ethan-1-one
Compound characteristics
| Compound ID: | S923-0564 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}ethan-1-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C19 H29 N7 O3 S |
| Smiles: | Cc1cc(C)n(CC(N2CCc3nnc(C4CCCCN4S(C)(=O)=O)n3CC2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.89 |
| logD: | -0.9141 |
| logSw: | -1.3343 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.144 |
| InChI Key: | ILWPSONKGWLZBY-INIZCTEOSA-N |