N-(butan-2-yl)-2-{[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-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-(butan-2-yl)-2-{[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-4040 |
| Compound Name: | N-(butan-2-yl)-2-{[3-(4-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 540.73 |
| Molecular Formula: | C26 H28 N4 O3 S3 |
| Smiles: | CCC(C)NC(CSC1=NC2=C(C(N1c1ccc(C)cc1)=O)SC(N2c1ccc(cc1)OCC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8472 |
| logD: | 4.8472 |
| logSw: | -4.405 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.263 |
| InChI Key: | WVTGQDSIVLDECQ-KRWDZBQOSA-N |