N-[2-(4-bromophenyl)-4-oxoquinazolin-3(4H)-yl]-2-chloro-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-bromophenyl)-4-oxoquinazolin-3(4H)-yl]-2-chloro-4-nitrobenzamide
N-[2-(4-bromophenyl)-4-oxoquinazolin-3(4H)-yl]-2-chloro-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3193-5069 |
| Compound Name: | N-[2-(4-bromophenyl)-4-oxoquinazolin-3(4H)-yl]-2-chloro-4-nitrobenzamide |
| Molecular Weight: | 499.71 |
| Molecular Formula: | C21 H12 Br Cl N4 O4 |
| Smiles: | c1ccc2c(c1)C(N(C(c1ccc(cc1)[Br])=N2)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7649 |
| logD: | 3.7165 |
| logSw: | -4.4699 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.132 |
| InChI Key: | AQHKNORVMPSAEO-UHFFFAOYSA-N |