5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3746 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 566.76 |
| Molecular Formula: | C28 H30 N4 O3 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(N2CCCCCC2)=O)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6583 |
| logD: | 5.6583 |
| logSw: | -5.2623 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.007 |
| InChI Key: | IVGXRFLLQRTKDC-UHFFFAOYSA-N |