N-[(4-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-[(4-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0120 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 436.92 |
| Molecular Formula: | C22 H17 Cl N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])Nc1c2ccccc2nc(n1)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0575 |
| logD: | 6.0558 |
| logSw: | -6.4246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.231 |
| InChI Key: | CJRFSLIMYUMVAW-UHFFFAOYSA-N |