3-[1-(methanesulfonyl)piperidin-2-yl]-7-[(3-methylthiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Chemical Structure Depiction of
3-[1-(methanesulfonyl)piperidin-2-yl]-7-[(3-methylthiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
3-[1-(methanesulfonyl)piperidin-2-yl]-7-[(3-methylthiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Compound characteristics
| Compound ID: | S923-0502 |
| Compound Name: | 3-[1-(methanesulfonyl)piperidin-2-yl]-7-[(3-methylthiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine |
| Molecular Weight: | 409.57 |
| Molecular Formula: | C18 H27 N5 O2 S2 |
| Smiles: | Cc1ccsc1CN1CCc2nnc(C3CCCCN3S(C)(=O)=O)n2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6054 |
| logD: | 1.5792 |
| logSw: | -2.2682 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.767 |
| InChI Key: | FDBLAVVDJFVDNN-HNNXBMFYSA-N |