2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0585 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1c2ccccc2nc(n1)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2736 |
| logD: | 5.2733 |
| logSw: | -5.626 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.887 |
| InChI Key: | KYLNYHPOKUBZDI-UHFFFAOYSA-N |