3-phenyl-2-{[(2,3,4-trimethoxy-6-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-phenyl-2-{[(2,3,4-trimethoxy-6-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-phenyl-2-{[(2,3,4-trimethoxy-6-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-9104 |
| Compound Name: | 3-phenyl-2-{[(2,3,4-trimethoxy-6-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C24 H21 N3 O6 S |
| Smiles: | COc1cc(c(CSC2=Nc3ccccc3C(N2c2ccccc2)=O)c(c1OC)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0975 |
| logD: | 4.0975 |
| logSw: | -4.4457 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.305 |
| InChI Key: | PKULMVCMVYVDSK-UHFFFAOYSA-N |