methyl 1-ethyl-4-[3-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-4-[3-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-ethyl-4-[3-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-4168 |
| Compound Name: | methyl 1-ethyl-4-[3-(2-ethylhexanamido)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 431.6 |
| Molecular Formula: | C23 H33 N3 O3 S |
| Smiles: | CCCCC(CC)C(Nc1cccc(c1)C1C(=C(C)N(CC)C(N1)=S)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6586 |
| logD: | 4.6585 |
| logSw: | -4.5018 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.008 |
| InChI Key: | LNTOKZYNPNNIHO-UHFFFAOYSA-N |