methyl 3-oxo-4-({4-oxo-3-[(oxolan-2-yl)methyl]-7-[(propan-2-yl)carbamoyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)butanoate
Chemical Structure Depiction of
methyl 3-oxo-4-({4-oxo-3-[(oxolan-2-yl)methyl]-7-[(propan-2-yl)carbamoyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)butanoate
methyl 3-oxo-4-({4-oxo-3-[(oxolan-2-yl)methyl]-7-[(propan-2-yl)carbamoyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)butanoate
Compound characteristics
| Compound ID: | F067-0361 |
| Compound Name: | methyl 3-oxo-4-({4-oxo-3-[(oxolan-2-yl)methyl]-7-[(propan-2-yl)carbamoyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)butanoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C22 H27 N3 O6 S |
| Smiles: | CC(C)NC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCC(CC(=O)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9259 |
| logD: | 0.9257 |
| logSw: | -2.4554 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.69 |
| InChI Key: | VXHUOEHGNIEIRR-MRXNPFEDSA-N |