3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061910 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 484.35 |
| Molecular Formula: | C22 H15 Br F N3 O2 S |
| Smiles: | C(c1cccc(c1)[Br])N1C(c2ccc(cc2NC1=S)C(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1501 |
| logD: | 5.1437 |
| logSw: | -5.3551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.409 |
| InChI Key: | NKJHYWILZAUPBP-UHFFFAOYSA-N |