1-[4-(butylamino)-6-methyl-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(butylamino)-6-methyl-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
1-[4-(butylamino)-6-methyl-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8013-3546 |
| Compound Name: | 1-[4-(butylamino)-6-methyl-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one |
| Molecular Weight: | 315.44 |
| Molecular Formula: | C17 H21 N3 O S |
| Smiles: | CCCCNC1C(=C(C)N(C(N=1)=S)c1ccccc1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3922 |
| logD: | 2.3733 |
| logSw: | -2.7141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.843 |
| InChI Key: | FSSMNMJYMDGYBK-UHFFFAOYSA-N |