N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
Chemical Structure Depiction of
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
Compound characteristics
| Compound ID: | 3909-7785 |
| Compound Name: | N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine |
| Molecular Weight: | 558.59 |
| Molecular Formula: | C29 H23 F N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(c2ccccc2n1)Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.7982 |
| logD: | 5.7828 |
| logSw: | -6.1273 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.893 |
| InChI Key: | PRQXNESHKRLKKG-UHFFFAOYSA-N |