2-{[(4-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-{[(4-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V014-9886 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | Cc1ccc(CSC2=Nc3ccccc3C(N2c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2478 |
| logD: | 4.2477 |
| logSw: | -4.4444 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.541 |
| InChI Key: | BEHWILLLKHBBJO-UHFFFAOYSA-N |