ethyl 4-[3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamido]benzoate
ethyl 4-[3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | C069-0094 |
| Compound Name: | ethyl 4-[3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamido]benzoate |
| Molecular Weight: | 377.5 |
| Molecular Formula: | C19 H27 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCN1C(C)CC(C)(C)NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4062 |
| logD: | 3.406 |
| logSw: | -3.5728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.879 |
| InChI Key: | WJZVEWIFKPMTRT-ZDUSSCGKSA-N |