6-(2-methoxyphenyl)-5-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(2-methoxyphenyl)-5-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(2-methoxyphenyl)-5-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3995 |
| Compound Name: | 6-(2-methoxyphenyl)-5-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 659.85 |
| Molecular Formula: | C33 H33 N5 O4 S3 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CSC1=NC2=C(C(N1c1ccccc1OC)=O)SC(N2CCc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2406 |
| logD: | 5.2405 |
| logSw: | -5.0763 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 61.856 |
| InChI Key: | XBRJQOFSFZNDQR-UHFFFAOYSA-N |