2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0244 |
| Compound Name: | 2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C27 H33 N3 O4 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(CCOC)C(=Nc2c1)SCC(c1cc(C)ccc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3481 |
| logD: | 4.3481 |
| logSw: | -4.1599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.137 |
| InChI Key: | BTWYRUHBLDMROT-UHFFFAOYSA-N |