N-[(4-fluorophenyl)methyl]-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(4-fluorophenyl)methyl]-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061696 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H16 F N3 O3 S |
| Smiles: | C(c1ccc(cc1)F)NC(c1ccc2C(N(Cc3ccco3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3584 |
| logD: | 3.3572 |
| logSw: | -3.7007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.48 |
| InChI Key: | JYMQYSZVQPQKKN-UHFFFAOYSA-N |