6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0882 |
| Compound Name: | 6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C25 H24 N4 O4 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(N(C(=N2)SCC(N2CCCC2)=O)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.9747 |
| logD: | 3.9747 |
| logSw: | -4.1474 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 58.586 |
| InChI Key: | RNHGKVVVSRRNAB-UHFFFAOYSA-N |