2-(4-butylphenyl)-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}quinazolin-4-amine
Chemical Structure Depiction of
2-(4-butylphenyl)-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}quinazolin-4-amine
2-(4-butylphenyl)-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | 3764-6529 |
| Compound Name: | 2-(4-butylphenyl)-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}quinazolin-4-amine |
| Molecular Weight: | 524.62 |
| Molecular Formula: | C30 H25 F N4 O2 S |
| Smiles: | CCCCc1ccc(cc1)c1nc(c2ccccc2n1)Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 10.285 |
| logD: | 10.0271 |
| logSw: | -6.037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.915 |
| InChI Key: | FWSMPVKTIZYGDV-UHFFFAOYSA-N |