2-(3,4-dimethoxyphenyl)-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}quinazolin-4-amine
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}quinazolin-4-amine
2-(3,4-dimethoxyphenyl)-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | 3764-6600 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}quinazolin-4-amine |
| Molecular Weight: | 528.56 |
| Molecular Formula: | C28 H21 F N4 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc(c2ccccc2n1)Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.9382 |
| logD: | 7.3327 |
| logSw: | -6.1938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.176 |
| InChI Key: | PCUVCEUORNNMCF-UHFFFAOYSA-N |