{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}(phenyl)methanone
Chemical Structure Depiction of
{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}(phenyl)methanone
{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}(phenyl)methanone
Compound characteristics
| Compound ID: | S841-0024 |
| Compound Name: | {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}(phenyl)methanone |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C21 H29 N5 O |
| Smiles: | CC(C)CN1CCc2nnc(C3CCN(C3)C(c3ccccc3)=O)n2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9933 |
| logD: | 1.2973 |
| logSw: | -1.9689 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.022 |
| InChI Key: | CZRTZZHVLCNSKC-GOSISDBHSA-N |