N-(2H-1,3-benzodioxol-5-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-(2H-1,3-benzodioxol-5-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0649 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 432.46 |
| Molecular Formula: | C22 H16 N4 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)Nc1c2ccccc2nc(n1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5121 |
| logD: | 5.5118 |
| logSw: | -6.2042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.024 |
| InChI Key: | VNNNPFIRIZJYSL-UHFFFAOYSA-N |