2-{[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
2-{[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-1452 |
| Compound Name: | 2-{[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 335.39 |
| Molecular Formula: | C17 H13 N5 O S |
| Smiles: | C(C1NC(c2ccccc2N=1)=O)Sc1ncn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4568 |
| logD: | 2.4552 |
| logSw: | -3.2491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.562 |
| InChI Key: | YSFQCWRVNHRQHJ-UHFFFAOYSA-N |