N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(5-methyl-7-oxo-3-phenyl-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(5-methyl-7-oxo-3-phenyl-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl)acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(5-methyl-7-oxo-3-phenyl-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl)acetamide
Compound characteristics
| Compound ID: | K258-0009 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(5-methyl-7-oxo-3-phenyl-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl)acetamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Smiles: | CC1=NC2=C(C(N1CC(NCCC1CCCCC=1)=O)=O)SC(N2c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9787 |
| logD: | 2.9787 |
| logSw: | -3.2601 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.686 |
| InChI Key: | ARXKLCGVAKSTKQ-UHFFFAOYSA-N |