N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F092-0124 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 488.65 |
| Molecular Formula: | C22 H24 N4 O3 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(NC(=N2)SCC(NCCC2CCCCC=2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.2763 |
| logD: | 3.2747 |
| logSw: | -3.5854 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.345 |
| InChI Key: | FHJNGUMZAIPMPZ-UHFFFAOYSA-N |