2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | J033-0169 |
| Compound Name: | 2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1nc(c2ccccc2n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2412 |
| logD: | 3.1546 |
| logSw: | -3.3001 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.944 |
| InChI Key: | FXMQMKLMUBWARF-UHFFFAOYSA-N |