propan-2-yl 4-[4-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-[4-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 4-[4-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V031-0578 |
| Compound Name: | propan-2-yl 4-[4-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 431.6 |
| Molecular Formula: | C23 H33 N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(CC(C)(C)C)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4947 |
| logD: | 4.4947 |
| logSw: | -4.1767 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.054 |
| InChI Key: | SWBZUJFXCQZCJV-FQEVSTJZSA-N |