3-(3-methylphenyl)-5-oxo-N-[(4-propoxyphenyl)methyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
3-(3-methylphenyl)-5-oxo-N-[(4-propoxyphenyl)methyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
3-(3-methylphenyl)-5-oxo-N-[(4-propoxyphenyl)methyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0868 |
| Compound Name: | 3-(3-methylphenyl)-5-oxo-N-[(4-propoxyphenyl)methyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 467.53 |
| Molecular Formula: | C27 H25 N5 O3 |
| Smiles: | CCCOc1ccc(CNC(c2ccc3C(Nc4c(c5cccc(C)c5)nnn4c3c2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4022 |
| logD: | 4.4022 |
| logSw: | -4.2543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.062 |
| InChI Key: | UBMBDTHBQGMKKO-UHFFFAOYSA-N |