3-benzyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-benzyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061256 |
| Compound Name: | 3-benzyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H18 F N3 O2 S |
| Smiles: | C(c1ccc(cc1)F)NC(c1ccc2C(N(Cc3ccccc3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.105 |
| logD: | 4.1041 |
| logSw: | -4.3486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.731 |
| InChI Key: | JWWAFLDQGLYDOD-UHFFFAOYSA-N |