3-(3,5-dimethylphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
3-(3,5-dimethylphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0098 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C27 H26 F N3 O2 S |
| Smiles: | CCCNC(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)F)c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3775 |
| logD: | 5.3765 |
| logSw: | -5.4135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.686 |
| InChI Key: | VNLWUQSPRKHAQU-UHFFFAOYSA-N |