N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0277 |
| Compound Name: | N-(2-methoxyethyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C18 H18 N4 O3 S |
| Smiles: | COCCNc1c2ccccc2nc(n1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1646 |
| logD: | 4.1632 |
| logSw: | -4.2084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.686 |
| InChI Key: | XAGYLOLVFAUXHG-UHFFFAOYSA-N |