ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K284-4492 |
| Compound Name: | ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 626.78 |
| Molecular Formula: | C35 H38 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCCc1ccccc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6956 |
| logD: | 5.6955 |
| logSw: | -5.4432 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.121 |
| InChI Key: | NPQZVXVQRQZRSS-UHFFFAOYSA-N |