2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K289-0410 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 519.98 |
| Molecular Formula: | C27 H19 Cl F N3 O3 S |
| Smiles: | C(c1ccco1)NC(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[Cl])c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0911 |
| logD: | 5.091 |
| logSw: | -5.4422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.322 |
| InChI Key: | IBVBPQIPTVRQNW-UHFFFAOYSA-N |