N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 8249-3173 |
| Compound Name: | N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | CC1(C)CC(c2cnc(NC(/C=C/c3cccc(c3)[N+]([O-])=O)=O)nc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0956 |
| logD: | 2.9583 |
| logSw: | -3.4002 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.394 |
| InChI Key: | XPGDXZYUGJUOAX-UHFFFAOYSA-N |