N-[(4-methoxyphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-[(4-methoxyphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0523 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C23 H20 N4 O3 S |
| Smiles: | COc1ccc(CNc2c3ccccc3nc(n2)SCc2ccc(cc2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2311 |
| logD: | 5.2294 |
| logSw: | -5.4261 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.775 |
| InChI Key: | NTMSHEQRUFQLNW-UHFFFAOYSA-N |