methyl 1-ethyl-6-methyl-2-sulfanylidene-4-[4-(3,5,5-trimethylhexanamido)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-6-methyl-2-sulfanylidene-4-[4-(3,5,5-trimethylhexanamido)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-ethyl-6-methyl-2-sulfanylidene-4-[4-(3,5,5-trimethylhexanamido)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-9671 |
| Compound Name: | methyl 1-ethyl-6-methyl-2-sulfanylidene-4-[4-(3,5,5-trimethylhexanamido)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 445.62 |
| Molecular Formula: | C24 H35 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(CC(C)CC(C)(C)C)=O)NC1=S)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6461 |
| logD: | 4.6461 |
| logSw: | -4.2911 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.795 |
| InChI Key: | DAVPIZHDEMFZMU-UHFFFAOYSA-N |