2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-1227 |
| Compound Name: | 2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 259.29 |
| Molecular Formula: | C11 H9 N5 O S |
| Smiles: | C(C1NC(c2ccccc2N=1)=O)Sc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.0308 |
| logD: | -0.3237 |
| logSw: | -2.4264 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.326 |
| InChI Key: | GVEDTLGMMNINSG-UHFFFAOYSA-N |