propan-2-yl 1-ethyl-4-[4-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-4-[4-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-ethyl-4-[4-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V004-9434 |
| Compound Name: | propan-2-yl 1-ethyl-4-[4-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 459.65 |
| Molecular Formula: | C25 H37 N3 O3 S |
| Smiles: | CCCCC(CC)C(Nc1ccc(cc1)C1C(=C(C)N(CC)C(N1)=S)C(=O)OC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.324 |
| logD: | 5.324 |
| logSw: | -5.1285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.267 |
| InChI Key: | YNJNFCKDJACOFW-UHFFFAOYSA-N |