methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4896-4069 |
| Compound Name: | methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C15 H17 Br N2 O4 S |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=C(C)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6112 |
| logD: | 2.5892 |
| logSw: | -2.8233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.537 |
| InChI Key: | JYIVTKMQVHTHCT-LBPRGKRZSA-N |