N-(3,5-dimethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-(3,5-dimethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
Compound ID: | K297-0875 |
Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
Molecular Weight: | 448.5 |
Molecular Formula: | C23 H20 N4 O4 S |
Smiles: | COc1cc(cc(c1)OC)Nc1c2ccccc2nc(n1)SCc1ccc(cc1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 5.818 |
logD: | 5.8178 |
logSw: | -5.8504 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.996 |
InChI Key: | BDDMRCGJSNVJOP-UHFFFAOYSA-N |