3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061871 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C24 H20 F N3 O4 S |
| Smiles: | Cc1ccc(cc1F)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1262 |
| logD: | 4.0972 |
| logSw: | -4.3657 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.059 |
| InChI Key: | KSSBXPUEMWHFTM-UHFFFAOYSA-N |