N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-nitrobenzamide
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 7752-0568 |
| Compound Name: | N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 340.34 |
| Molecular Formula: | C17 H16 N4 O4 |
| Smiles: | CC1(C)CC(c2cnc(NC(c3cccc(c3)[N+]([O-])=O)=O)nc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3526 |
| logD: | 0.1798 |
| logSw: | -3.031 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.608 |
| InChI Key: | NVUABTVFDZZFNU-UHFFFAOYSA-N |