3-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
3-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0308 |
| Compound Name: | 3-(3-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C28 H26 N4 O5 S |
| Smiles: | COc1cccc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCCC1)=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1373 |
| logD: | 4.1372 |
| logSw: | -4.2507 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.733 |
| InChI Key: | OKLQIKCXZDKXQU-UHFFFAOYSA-N |