4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid
4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3869 |
| Compound Name: | 4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C21 H27 N3 O6 S |
| Smiles: | COc1cc2C(NC(CSCC(NC[C@H]3CC[C@@H](CC3)C(O)=O)=O)=Nc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1979 |
| logD: | -1.3624 |
| logSw: | -2.1413 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.233 |
| InChI Key: | AEHVKFKQAHUQLW-UHFFFAOYSA-N |