2-methylpropyl 4-[4-(2-bromobenzamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[4-(2-bromobenzamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-[4-(2-bromobenzamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8186 |
| Compound Name: | 2-methylpropyl 4-[4-(2-bromobenzamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 530.48 |
| Molecular Formula: | C25 H28 Br N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(c2ccccc2[Br])=O)NC1=S)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8801 |
| logD: | 4.8797 |
| logSw: | -4.582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.692 |
| InChI Key: | RDGMAXZQOHIMNO-QFIPXVFZSA-N |