N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061794 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 439.89 |
| Molecular Formula: | C22 H15 Cl F N3 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1084 |
| logD: | 4.0948 |
| logSw: | -4.5821 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.12 |
| InChI Key: | LOSWVVUMHDOUFX-UHFFFAOYSA-N |