N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0488 |
| Compound Name: | N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 544.05 |
| Molecular Formula: | C30 H23 Cl F N3 O2 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)[Cl])c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.818 |
| logD: | 5.8178 |
| logSw: | -5.8341 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.31 |
| InChI Key: | GXEXSYDOWGWGSN-UHFFFAOYSA-N |