2-(4-butylphenyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]quinazolin-4-amine
Chemical Structure Depiction of
2-(4-butylphenyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]quinazolin-4-amine
2-(4-butylphenyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]quinazolin-4-amine
Compound characteristics
| Compound ID: | 3764-6421 |
| Compound Name: | 2-(4-butylphenyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]quinazolin-4-amine |
| Molecular Weight: | 539.03 |
| Molecular Formula: | C31 H27 Cl N4 O3 |
| Smiles: | CCCCc1ccc(cc1)c1nc(c2ccccc2n1)Nc1cc(cc(c1)Oc1ccc(c(C)c1)[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 11.048 |
| logD: | 10.7901 |
| logSw: | -6.6984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.935 |
| InChI Key: | LLHLCIJCBLJLSX-UHFFFAOYSA-N |