2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0746 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)quinazolin-4(3H)-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7289 |
| logD: | 4.7289 |
| logSw: | -4.7191 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.131 |
| InChI Key: | RIJBZMKHKUKKDX-UHFFFAOYSA-N |