2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine
2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0173 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(2-phenylethyl)quinazolin-4-amine |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | C(CNc1c2ccccc2nc(n1)SCc1cccc(c1)[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8194 |
| logD: | 5.818 |
| logSw: | -6.3469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.072 |
| InChI Key: | ROKLYIPVLOLKEX-UHFFFAOYSA-N |