2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0168 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 506.07 |
| Molecular Formula: | C28 H28 Cl N3 O2 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)[Cl])c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2703 |
| logD: | 6.2693 |
| logSw: | -6.0681 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.844 |
| InChI Key: | LPEIPCGDLUVLOC-UHFFFAOYSA-N |