6,7,8-trimethoxy-2-{[(4-nitrophenyl)methyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
Chemical Structure Depiction of
6,7,8-trimethoxy-2-{[(4-nitrophenyl)methyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
6,7,8-trimethoxy-2-{[(4-nitrophenyl)methyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V019-8783 |
| Compound Name: | 6,7,8-trimethoxy-2-{[(4-nitrophenyl)methyl]sulfanyl}-3-phenylquinazolin-4(3H)-one |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C24 H21 N3 O6 S |
| Smiles: | COc1cc2C(N(C(=Nc2c(c1OC)OC)SCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1835 |
| logD: | 4.1834 |
| logSw: | -4.456 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.354 |
| InChI Key: | DCSDQLLQDLRTNE-UHFFFAOYSA-N |