4-oxo-N-[(oxolan-2-yl)methyl]-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-N-[(oxolan-2-yl)methyl]-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
4-oxo-N-[(oxolan-2-yl)methyl]-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K289-0371 |
| Compound Name: | 4-oxo-N-[(oxolan-2-yl)methyl]-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C27 H30 N4 O4 S |
| Smiles: | C=CCN1C(=Nc2cc(ccc2C1=O)C(NCC1CCCO1)=O)SCC(NCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.874 |
| logD: | 1.874 |
| logSw: | -2.8638 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.402 |
| InChI Key: | CQDNQNWUYOZISV-OAQYLSRUSA-N |