2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0436 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 538.07 |
| Molecular Formula: | C28 H28 Cl N3 O4 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[Cl])c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.296 |
| logD: | 5.296 |
| logSw: | -5.8453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.932 |
| InChI Key: | JBJXYLDMEDQKCI-UHFFFAOYSA-N |