2-({3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
2-({3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-5966 |
| Compound Name: | 2-({3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 612.45 |
| Molecular Formula: | C27 H22 Cl2 F3 N3 O4 S |
| Smiles: | COc1cc2C(N(CCc3ccc(cc3)[Cl])C(=Nc2cc1OC)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3394 |
| logD: | 6.3195 |
| logSw: | -6.2107 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.462 |
| InChI Key: | LYSVGOXPUNOOII-UHFFFAOYSA-N |