N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Compound characteristics
| Compound ID: | C741-0583 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 515.96 |
| Molecular Formula: | C27 H22 Cl N5 O4 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4073 |
| logD: | 3.4073 |
| logSw: | -4.0013 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.293 |
| InChI Key: | MRAAEZXAQIDMDG-UHFFFAOYSA-N |