6,7,8-trimethoxy-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
6,7,8-trimethoxy-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
6,7,8-trimethoxy-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V025-1327 |
| Compound Name: | 6,7,8-trimethoxy-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 537.55 |
| Molecular Formula: | C26 H23 N3 O8 S |
| Smiles: | COc1ccc(cc1)C(CSC1=Nc2c(cc(c(c2OC)OC)OC)C(N1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0901 |
| logD: | 4.0897 |
| logSw: | -4.4565 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 100.144 |
| InChI Key: | BGOVZSSQIAYYBG-UHFFFAOYSA-N |