methyl 4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | Y510-4964 |
Compound Name: | methyl 4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 443.36 |
Molecular Formula: | C18 H23 Br N2 O4 S |
Smiles: | CCCCOc1cc(c(cc1OC)C1C(=C(C)NC(N1)=S)C(=O)OC)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3287 |
logD: | 3.3176 |
logSw: | -3.5407 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.983 |
InChI Key: | FMNLHPZEJHPWGE-INIZCTEOSA-N |