methyl 4-[4-(butylcarbamamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(butylcarbamamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-[4-(butylcarbamamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V014-5663 |
| Compound Name: | methyl 4-[4-(butylcarbamamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | CCCCNC(Nc1ccc(cc1)C1C(=C(C)N(C)C(N1)=S)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7605 |
| logD: | 2.7605 |
| logSw: | -3.292 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.425 |
| InChI Key: | JUPFSTXINZZABC-MRXNPFEDSA-N |