2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K289-0418 |
| Compound Name: | 2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C27 H30 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2cc(ccc2C(N1CC=C)=O)C(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7869 |
| logD: | 2.7869 |
| logSw: | -3.5816 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.362 |
| InChI Key: | SLNKTLOLMHJOOG-OAQYLSRUSA-N |