2-[({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-tetrazol-5-yl}sulfanyl)methyl]quinazolin-4(1H)-one
Chemical Structure Depiction of
2-[({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-tetrazol-5-yl}sulfanyl)methyl]quinazolin-4(1H)-one
2-[({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-tetrazol-5-yl}sulfanyl)methyl]quinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 8018-9584 |
| Compound Name: | 2-[({1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-tetrazol-5-yl}sulfanyl)methyl]quinazolin-4(1H)-one |
| Molecular Weight: | 394.41 |
| Molecular Formula: | C18 H14 N6 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)n1c(nnn1)SCC1Nc2ccccc2C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1356 |
| logD: | 2.0794 |
| logSw: | -3.1405 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.802 |
| InChI Key: | XQKMJXYHZOBJQY-UHFFFAOYSA-N |