1-[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
1-[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8017-1943 |
| Compound Name: | 1-[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 291.33 |
| Molecular Formula: | C13 H13 N3 O3 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)NC(N1)=S)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.666 |
| logD: | 1.662 |
| logSw: | -2.5163 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.882 |
| InChI Key: | QAZSDLODTJJGFT-GFCCVEGCSA-N |