methyl 4-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)benzoate
methyl 4-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)benzoate
Compound characteristics
| Compound ID: | Y505-4372 |
| Compound Name: | methyl 4-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)benzoate |
| Molecular Weight: | 290.38 |
| Molecular Formula: | C15 H18 N2 O2 S |
| Smiles: | CC1=CC(C)(C)NC(N1c1ccc(cc1)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 3.2472 |
| logD: | 3.2472 |
| logSw: | -3.5104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.025 |
| InChI Key: | MKHHGIREJPDXPY-UHFFFAOYSA-N |