3-hydroxy-1-{3-[7-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-hydroxy-1-{3-[7-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-1-yl}propan-1-one
3-hydroxy-1-{3-[7-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S841-0020 |
| Compound Name: | 3-hydroxy-1-{3-[7-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-1-yl}propan-1-one |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C17 H29 N5 O2 |
| Smiles: | CC(C)CN1CCc2nnc(C3CCN(C3)C(CCO)=O)n2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1939 |
| logD: | -0.8899 |
| logSw: | -0.0562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.422 |
| InChI Key: | BQRATJJEZYOPFI-CQSZACIVSA-N |