2-cyclohexyl-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-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-cyclohexyl-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}ethan-1-one
2-cyclohexyl-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-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: | T956-0239 |
| Compound Name: | 2-cyclohexyl-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-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: | 361.49 |
| Molecular Formula: | C19 H31 N5 O2 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CCN(CCn12)C(CC1CCCCC1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.6976 |
| logD: | 0.4696 |
| logSw: | -0.6497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.984 |
| InChI Key: | GKQLCCSWQAPDFW-HOTGVXAUSA-N |