2-{[(4-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine
2-{[(4-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0174 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | C(CNc1c2ccccc2nc(n1)SCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6053 |
| logD: | 5.6039 |
| logSw: | -6.1686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.072 |
| InChI Key: | LOONPUAINYYLQK-UHFFFAOYSA-N |