3-{3-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-oxopropyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-{3-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-oxopropyl}quinazolin-4(3H)-one
3-{3-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-oxopropyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8020-2861 |
| Compound Name: | 3-{3-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-oxopropyl}quinazolin-4(3H)-one |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C20 H17 N5 O2 S |
| Smiles: | Cc1nnc(n1c1ccccc1)SCC(CN1C=Nc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2 |
| logD: | 1.2 |
| logSw: | -2.428 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.888 |
| InChI Key: | XQHPDZTXMYLUPH-UHFFFAOYSA-N |