2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-propyl-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0320 |
| Compound Name: | 2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCCNC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCC(c1cc(C)ccc1C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7713 |
| logD: | 3.7713 |
| logSw: | -3.919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.199 |
| InChI Key: | SXHHHILTYLNMKF-HXUWFJFHSA-N |