N-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0069 |
| Compound Name: | N-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C22 H18 N4 O2 S |
| Smiles: | C(c1ccccc1)Nc1c2ccccc2nc(n1)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4628 |
| logD: | 5.461 |
| logSw: | -6.244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.231 |
| InChI Key: | CEWKPLDDKUVGRT-UHFFFAOYSA-N |