3-(3,5-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-(3,5-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0491 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C31 H33 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(CSC1=Nc2cc(ccc2C(N1c1cc(C)cc(C)c1)=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5089 |
| logD: | 5.5066 |
| logSw: | -5.4106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.215 |
| InChI Key: | RBMIAYWJPBAHLP-UHFFFAOYSA-N |