3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015656 |
| Compound Name: | 3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C26 H22 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5991 |
| logD: | 4.599 |
| logSw: | -4.3482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.626 |
| InChI Key: | RHMHOAZREVCEDS-UHFFFAOYSA-N |