ethyl 4-[(4,7-dimethylquinazolin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(4,7-dimethylquinazolin-2-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(4,7-dimethylquinazolin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 3391-6629 |
| Compound Name: | ethyl 4-[(4,7-dimethylquinazolin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | CCOC(CC(CSc1nc(C)c2ccc(C)cc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2409 |
| logD: | 3.2409 |
| logSw: | -3.2878 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.737 |
| InChI Key: | JIYDEMGNMPRTHD-UHFFFAOYSA-N |