3-benzyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1103 |
| Compound Name: | 3-benzyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C31 H31 N3 O4 S |
| Smiles: | Cc1ccc(C(CSC2=Nc3cc(ccc3C(N2Cc2ccccc2)=O)C(NCC2CCCO2)=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7807 |
| logD: | 4.7807 |
| logSw: | -4.5318 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.086 |
| InChI Key: | ITKNQLJWYJKZAC-XMMPIXPASA-N |