3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061938 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 534.35 |
| Molecular Formula: | C23 H15 Br F3 N3 O2 S |
| Smiles: | C(c1cccc(c1)[Br])N1C(c2ccc(cc2NC1=S)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1642 |
| logD: | 6.139 |
| logSw: | -6.2134 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.409 |
| InChI Key: | BYOVEVUAZKQCEU-UHFFFAOYSA-N |