2-{[(4-nitrophenyl)methyl]sulfanyl}-N-[(oxolan-2-yl)methyl]quinazolin-4-amine
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-N-[(oxolan-2-yl)methyl]quinazolin-4-amine
2-{[(4-nitrophenyl)methyl]sulfanyl}-N-[(oxolan-2-yl)methyl]quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0397 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-N-[(oxolan-2-yl)methyl]quinazolin-4-amine |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | C1CC(CNc2c3ccccc3nc(n2)SCc2ccc(cc2)[N+]([O-])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1036 |
| logD: | 4.1022 |
| logSw: | -4.3169 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.885 |
| InChI Key: | JBGKAXHIANDMHA-MRXNPFEDSA-N |