2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V006-0626 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3ccccc3C(N2c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6189 |
| logD: | 5.6188 |
| logSw: | -5.4142 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.541 |
| InChI Key: | BQNSUWLBHMKXNY-UHFFFAOYSA-N |