N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061078 |
| Compound Name: | N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H18 F N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5408 |
| logD: | 4.4842 |
| logSw: | -4.3477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.798 |
| InChI Key: | JMQLWBDYKBLWDN-UHFFFAOYSA-N |