methyl 4-[3-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-[3-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-[3-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V005-4050 |
| Compound Name: | methyl 4-[3-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(CC(C)(C)C)=O)NC1=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8293 |
| logD: | 3.8292 |
| logSw: | -3.9731 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.795 |
| InChI Key: | GKBINGPKSIAHLV-GOSISDBHSA-N |