3-(3-chloro-4-fluorophenyl)-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061679 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 517.97 |
| Molecular Formula: | C27 H17 Cl F N3 O3 S |
| Smiles: | c1ccc(cc1)Oc1ccc(cc1)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1037 |
| logD: | 5.7594 |
| logSw: | -6.1582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.545 |
| InChI Key: | MJDDNYOCSIKEMR-UHFFFAOYSA-N |