N-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0874 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | COc1cc(cc(c1)OC)Nc1c2ccccc2nc(n1)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0321 |
| logD: | 6.0319 |
| logSw: | -5.9169 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.996 |
| InChI Key: | CXWCZABTRMBOQA-UHFFFAOYSA-N |