3-(3-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
3-(3-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
3-(3-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0871 |
| Compound Name: | 3-(3-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | Cc1cccc(c1)c1c2NC(c3ccc(cc3n2nn1)C(NCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1622 |
| logD: | 4.1622 |
| logSw: | -4.2771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.644 |
| InChI Key: | KIWHESLLCUZUFQ-UHFFFAOYSA-N |