2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0599 |
| Compound Name: | 2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C31 H32 F N3 O3 S |
| Smiles: | CC(C)CN1C(=Nc2cc(ccc2C1=O)C(NCc1ccc(cc1)F)=O)SC(C)C(c1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5451 |
| logD: | 6.545 |
| logSw: | -5.5951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.195 |
| InChI Key: | LBWOMDCHQGIHPQ-NRFANRHFSA-N |