5-chloro-N-(2-cyclohexyl-4-oxoquinazolin-3(4H)-yl)-2-nitrobenzamide
Chemical Structure Depiction of
5-chloro-N-(2-cyclohexyl-4-oxoquinazolin-3(4H)-yl)-2-nitrobenzamide
5-chloro-N-(2-cyclohexyl-4-oxoquinazolin-3(4H)-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | 3401-5379F |
| Compound Name: | 5-chloro-N-(2-cyclohexyl-4-oxoquinazolin-3(4H)-yl)-2-nitrobenzamide |
| Molecular Weight: | 426.86 |
| Molecular Formula: | C21 H19 Cl N4 O4 |
| Smiles: | C1CCC(CC1)C1=Nc2ccccc2C(N1NC(c1cc(ccc1[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1737 |
| logD: | 2.4152 |
| logSw: | -3.9421 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.024 |
| InChI Key: | MTBJQRCBQJOBQD-UHFFFAOYSA-N |