4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061855 |
| Compound Name: | 4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 533.53 |
| Molecular Formula: | C28 H18 F3 N3 O3 S |
| Smiles: | c1ccc(cc1)Oc1ccc(cc1)NC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3654 |
| logD: | 6.3541 |
| logSw: | -6.2921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.545 |
| InChI Key: | WCHLCZPZLYOKFO-UHFFFAOYSA-N |