cyclobutyl{3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Chemical Structure Depiction of
cyclobutyl{3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
cyclobutyl{3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Compound characteristics
| Compound ID: | T956-0021 |
| Compound Name: | cyclobutyl{3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C18 H29 N5 O2 |
| Smiles: | CC(C)N1C[C@@H](C[C@H]1c1nnc2CCN(CCn12)C(C1CCC1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.129 |
| logD: | -0.3852 |
| logSw: | -0.1873 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.014 |
| InChI Key: | WQXANMREKMLJOZ-GJZGRUSLSA-N |