2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0109 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(NCCOC)=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.5088 |
| logD: | 2.5077 |
| logSw: | -2.9704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.792 |
| InChI Key: | UUBKRZQIIZUQFA-UHFFFAOYSA-N |