ethyl 4-[2-({4-oxo-3-[(4-{[(oxolan-2-yl)methyl]carbamoyl}cyclohexyl)methyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({4-oxo-3-[(4-{[(oxolan-2-yl)methyl]carbamoyl}cyclohexyl)methyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-oxo-3-[(4-{[(oxolan-2-yl)methyl]carbamoyl}cyclohexyl)methyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K284-4748 |
| Compound Name: | ethyl 4-[2-({4-oxo-3-[(4-{[(oxolan-2-yl)methyl]carbamoyl}cyclohexyl)methyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 606.74 |
| Molecular Formula: | C32 H38 N4 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCC1CCCO1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3978 |
| logD: | 4.3978 |
| logSw: | -4.2226 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.934 |
| InChI Key: | FZNLABINUJJYCM-XUNZJTMSSA-N |