1-[1-benzyl-4-(ethylsulfanyl)-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-benzyl-4-(ethylsulfanyl)-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
1-[1-benzyl-4-(ethylsulfanyl)-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6623-1095 |
| Compound Name: | 1-[1-benzyl-4-(ethylsulfanyl)-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 318.46 |
| Molecular Formula: | C16 H18 N2 O S2 |
| Smiles: | CCSC1C(=C(C)N(Cc2ccccc2)C(N=1)=S)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9567 |
| logD: | 2.9567 |
| logSw: | -3.0421 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 24.9543 |
| InChI Key: | HWAJLYPZGMFAGR-UHFFFAOYSA-N |