tert-butyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
tert-butyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4383-0243 |
| Compound Name: | tert-butyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 350.43 |
| Molecular Formula: | C17 H22 N2 O4 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)O)NC(N1)=S)C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.468 |
| logD: | 2.4519 |
| logSw: | -2.8934 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.716 |
| InChI Key: | QAPUJXUHQYYCDX-CQSZACIVSA-N |