N-(4-fluorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(4-fluorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062042 |
| Compound Name: | N-(4-fluorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H16 F N3 O3 S |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8302 |
| logD: | 3.7737 |
| logSw: | -4.1447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.341 |
| InChI Key: | IHTCJFXNLONLJN-UHFFFAOYSA-N |