N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061805 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 455.89 |
| Molecular Formula: | C22 H15 Cl F N3 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3584 |
| logD: | 4.3019 |
| logSw: | -4.5966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.428 |
| InChI Key: | MMIOTWVMTDMTEB-UHFFFAOYSA-N |