{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}(4-methyl-1,3-oxazol-5-yl)methanone
Chemical Structure Depiction of
{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}(4-methyl-1,3-oxazol-5-yl)methanone
{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}(4-methyl-1,3-oxazol-5-yl)methanone
Compound characteristics
| Compound ID: | T956-0074 |
| Compound Name: | {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}(4-methyl-1,3-oxazol-5-yl)methanone |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C18 H26 N6 O3 |
| Smiles: | CC(C)N1C[C@@H](C[C@H]1c1nnc2CCN(CCn12)C(c1c(C)nco1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | -0.365 |
| logD: | -0.8792 |
| logSw: | -0.7206 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.405 |
| InChI Key: | WUEGWBSHTMTMDQ-KBPBESRZSA-N |