N-(2H-1,3-benzodioxol-5-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
N-(2H-1,3-benzodioxol-5-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0638 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C22 H16 F N3 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)Nc1c2ccccc2nc(n1)SCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 6.1506 |
| logD: | 6.1505 |
| logSw: | -6.3571 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.643 |
| InChI Key: | YCWHFPVTYREUPD-UHFFFAOYSA-N |