N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(7-oxo-3-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-[(7-oxo-3-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-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F092-0435 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C21 H22 N4 O2 S3 |
| Smiles: | C1CCC(CCNC(CSC2NC(C3=C(N=2)N(C(=S)S3)c2ccccc2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9909 |
| logD: | 2.9892 |
| logSw: | -3.4015 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.801 |
| InChI Key: | XOJNDKHNWBBTKM-UHFFFAOYSA-N |