N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]butanamide
Compound characteristics
| Compound ID: | C600-0117 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]butanamide |
| Molecular Weight: | 509.52 |
| Molecular Formula: | C27 H23 N7 O4 |
| Smiles: | C(CC(NNc1nc2ccccc2c2nc(c3ccccc3)nn12)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0065 |
| logD: | 2.7066 |
| logSw: | -3.2941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.785 |
| InChI Key: | UTKOKCWEJCGKBK-UHFFFAOYSA-N |