3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
Chemical Structure Depiction of
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
Compound characteristics
| Compound ID: | Y041-9023 |
| Compound Name: | 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C22 H22 N6 O3 |
| Smiles: | C(CC(Nc1nc(CCc2ccccc2)[nH]n1)=O)C1C(Nc2ccccc2C(N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9964 |
| logD: | 2.9684 |
| logSw: | -3.7076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.01 |
| InChI Key: | AFPRDWSMLMUOPJ-QGZVFWFLSA-N |