3-(3-methylphenyl)-5-oxo-N-[(thiophen-2-yl)methyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
3-(3-methylphenyl)-5-oxo-N-[(thiophen-2-yl)methyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
3-(3-methylphenyl)-5-oxo-N-[(thiophen-2-yl)methyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0199 |
| Compound Name: | 3-(3-methylphenyl)-5-oxo-N-[(thiophen-2-yl)methyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C22 H17 N5 O2 S |
| Smiles: | Cc1cccc(c1)c1c2NC(c3ccc(cc3n2nn1)C(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4179 |
| logD: | 3.4179 |
| logSw: | -3.8077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.662 |
| InChI Key: | KJQYBFSFLSOCLL-UHFFFAOYSA-N |