2-{[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
2-{[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-2316 |
| Compound Name: | 2-{[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C15 H17 N5 O S |
| Smiles: | CCCCc1nnc([nH]1)SCC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8776 |
| logD: | 1.5483 |
| logSw: | -2.7809 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.669 |
| InChI Key: | ZVMMPDQCYBBBGS-UHFFFAOYSA-N |