N-(4-fluorophenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-(4-fluorophenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0543 |
| Compound Name: | N-(4-fluorophenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H15 F N4 O2 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)Sc1nc(c2ccccc2n1)Nc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.9221 |
| logD: | 5.9218 |
| logSw: | -6.3864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.909 |
| InChI Key: | XEHIONDMYBULNJ-UHFFFAOYSA-N |