N-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062004 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C24 H20 F N3 O3 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)C(NCc2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0874 |
| logD: | 4.0865 |
| logSw: | -4.3135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.275 |
| InChI Key: | YZCSJYBXBFEJMW-UHFFFAOYSA-N |