3-(4-fluorophenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(4-fluorophenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(4-fluorophenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061776 |
| Compound Name: | 3-(4-fluorophenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H15 F N4 O2 S |
| Smiles: | C(c1cccnc1)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.286 |
| logD: | 2.2722 |
| logSw: | -2.8522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.638 |
| InChI Key: | IQEGLWRLDDQDEC-UHFFFAOYSA-N |