2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V008-6863 |
| Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CSC2=Nc3ccccc3C(N2c2ccc(cc2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3295 |
| logD: | 5.329 |
| logSw: | -5.3353 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.541 |
| InChI Key: | CHKGJNKBJHUPDH-UHFFFAOYSA-N |