3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062028 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 501.48 |
| Molecular Formula: | C24 H18 F3 N3 O4 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)C(Nc2ccc(cc2)OC(F)(F)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5836 |
| logD: | 5.58 |
| logSw: | -5.3992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.89 |
| InChI Key: | NAVSSESDSPITHP-UHFFFAOYSA-N |