3-benzyl-2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1108 |
| Compound Name: | 3-benzyl-2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C31 H28 N4 O4 S |
| Smiles: | C1CC(CNC(c2ccc3C(N(Cc4ccccc4)C(=Nc3c2)SCC(c2c[nH]c3ccccc23)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1586 |
| logD: | 4.1586 |
| logSw: | -4.2864 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.956 |
| InChI Key: | LXKHPDABQURCRX-JOCHJYFZSA-N |