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-(thiophen-3-yl)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-(thiophen-3-yl)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-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S923-0508 |
| 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-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 423.55 |
| Molecular Formula: | C18 H25 N5 O3 S2 |
| Smiles: | CS(N1CCCCC1c1nnc2CCN(CCn12)C(Cc1ccsc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6927 |
| logD: | 0.6686 |
| logSw: | -2.1083 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.156 |
| InChI Key: | WYEXAQNTDIURGS-HNNXBMFYSA-N |