N-(2-methylpropyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(2-methylpropyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0214 |
| Compound Name: | N-(2-methylpropyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC(c1ccccc1)=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.499 |
| logD: | 3.499 |
| logSw: | -3.8782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.494 |
| InChI Key: | USSUUPPEPGDKDK-UHFFFAOYSA-N |