7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(methanesulfonyl)piperidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Chemical Structure Depiction of
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(methanesulfonyl)piperidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(methanesulfonyl)piperidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Compound characteristics
| Compound ID: | S923-0577 |
| Compound Name: | 7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(methanesulfonyl)piperidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C18 H28 N6 O3 S |
| Smiles: | Cc1c(CN2CCc3nnc(C4CCCCN4S(C)(=O)=O)n3CC2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4435 |
| logD: | -0.3963 |
| logSw: | -1.337 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.787 |
| InChI Key: | UATHMMIANGROTR-INIZCTEOSA-N |