2-methylpropyl 4-[4-(butylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[4-(butylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-[4-(butylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-7674 |
| Compound Name: | 2-methylpropyl 4-[4-(butylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 446.61 |
| Molecular Formula: | C23 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCCCNC(Nc1ccc(cc1)C1C(=C(C)N(CC)C(N1)=S)C(=O)OCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4924 |
| logD: | 4.4924 |
| logSw: | -4.174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.339 |
| InChI Key: | BQKUFZXSUOUFBE-HXUWFJFHSA-N |