N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-nitrobenzamide
N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V010-0276 |
| Compound Name: | N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-nitrobenzamide |
| Molecular Weight: | 461.91 |
| Molecular Formula: | C24 H20 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nc(c2ccc(cc2n1)[Cl])NCCNC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1844 |
| logD: | 5.425 |
| logSw: | -6.3004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.877 |
| InChI Key: | JOSMMYUQTGHAFR-UHFFFAOYSA-N |