2-{[(4-nitrophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
2-{[(4-nitrophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0607 |
| Compound Name: | 2-{[(4-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)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0595 |
| logD: | 5.0593 |
| logSw: | -5.04 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.887 |
| InChI Key: | YGFHAAKLXDQPRY-UHFFFAOYSA-N |