4-[5-(methoxycarbonyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[5-(methoxycarbonyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-yl]benzoic acid
4-[5-(methoxycarbonyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 4896-3999 |
| Compound Name: | 4-[5-(methoxycarbonyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-yl]benzoic acid |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C14 H14 N2 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7138 |
| logD: | -1.2577 |
| logSw: | -2.1748 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.256 |
| InChI Key: | GZEBTMRPQDLJIG-LLVKDONJSA-N |