methyl 2-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K284-4676 |
| Compound Name: | methyl 2-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 612.75 |
| Molecular Formula: | C34 H36 N4 O5 S |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCCc1ccccc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8188 |
| logD: | 4.8105 |
| logSw: | -4.5748 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.843 |
| InChI Key: | MIKOMQMSVKNYSF-UHFFFAOYSA-N |