3-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
3-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0290 |
| Compound Name: | 3-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C27 H24 N4 O5 S |
| Smiles: | COc1cccc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCC1)=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.85 |
| logD: | 3.8499 |
| logSw: | -3.944 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.099 |
| InChI Key: | VGOZCZFDGWCLBW-UHFFFAOYSA-N |