3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
Chemical Structure Depiction of
3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
Compound characteristics
| Compound ID: | J101-0268 |
| Compound Name: | 3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H22 N6 O3 |
| Smiles: | C(Cc1nnc2ccccn12)CNC(CC[C@@H]1C(Nc2ccccc2C(N1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.3923 |
| logD: | 0.3818 |
| logSw: | -2.0177 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.85 |
| InChI Key: | XGUGZSUHYYKRDO-MRXNPFEDSA-N |