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}-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
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}-2-(3-methylphenoxy)ethan-1-one
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}-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S923-0558 |
| Compound Name: | 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}-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | Cc1cccc(c1)OCC(N1CCc2nnc(C3CCCCN3S(C)(=O)=O)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9344 |
| logD: | 0.9103 |
| logSw: | -2.168 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.636 |
| InChI Key: | BHIACVDCEJNCNI-SFHVURJKSA-N |