N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-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-[(furan-2-yl)methyl]-7-oxo-6-phenyl-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-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K286-4286 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 538.71 |
| Molecular Formula: | C26 H26 N4 O3 S3 |
| Smiles: | C1CCC(CCNC(CSC2=NC3=C(C(N2c2ccccc2)=O)SC(N3Cc2ccco2)=S)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3417 |
| logD: | 4.3417 |
| logSw: | -4.2293 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.82 |
| InChI Key: | BRWSJQSXXXLPAJ-UHFFFAOYSA-N |