[4-(dimethylamino)phenyl]{3-[1-(propan-2-yl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Chemical Structure Depiction of
[4-(dimethylamino)phenyl]{3-[1-(propan-2-yl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
[4-(dimethylamino)phenyl]{3-[1-(propan-2-yl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Compound characteristics
| Compound ID: | CM4232-1260 |
| Compound Name: | [4-(dimethylamino)phenyl]{3-[1-(propan-2-yl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C22 H32 N6 O |
| Smiles: | CC(C)N1CCC(C1)c1nnc2CCN(CCn12)C(c1ccc(cc1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5576 |
| logD: | -2.1148 |
| logSw: | -1.9306 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.879 |
| InChI Key: | WGTZAEIEYITCBP-SFHVURJKSA-N |