methyl 4-{[3-benzyl-7-(cyclopentylcarbamoyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
methyl 4-{[3-benzyl-7-(cyclopentylcarbamoyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
methyl 4-{[3-benzyl-7-(cyclopentylcarbamoyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | F067-0069 |
| Compound Name: | methyl 4-{[3-benzyl-7-(cyclopentylcarbamoyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | COC(CC(CSC1=Nc2cc(ccc2C(N1Cc1ccccc1)=O)C(NC1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2065 |
| logD: | 3.2063 |
| logSw: | -3.6416 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.881 |
| InChI Key: | KVWOUCVUUXYRCO-UHFFFAOYSA-N |