methyl 2-(2-{[4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K284-4223 |
| Compound Name: | methyl 2-(2-{[4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C27 H30 N4 O6 S |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccccc2C(N1CCCC(NCC1CCCO1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.235 |
| logD: | 1.2267 |
| logSw: | -2.3605 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.501 |
| InChI Key: | OQAWZJZSQGLNHM-GOSISDBHSA-N |