1-[1-(2,5-dimethylphenyl)-6-methyl-4-(pyrrolidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(2,5-dimethylphenyl)-6-methyl-4-(pyrrolidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
1-[1-(2,5-dimethylphenyl)-6-methyl-4-(pyrrolidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8015-1430 |
| Compound Name: | 1-[1-(2,5-dimethylphenyl)-6-methyl-4-(pyrrolidin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 341.47 |
| Molecular Formula: | C19 H23 N3 O S |
| Smiles: | CC1=C(C(=NC(N1c1cc(C)ccc1C)=S)N1CCCC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2931 |
| logD: | 3.2633 |
| logSw: | -3.4459 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.7586 |
| InChI Key: | GBJRJEJKWFJWSA-UHFFFAOYSA-N |