5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0870 |
| Compound Name: | 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C23 H21 N3 O5 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(N(C(=N2)SCC2OCCO2)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.5518 |
| logD: | 3.5518 |
| logSw: | -3.8475 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 59.366 |
| InChI Key: | NIJZZIHHYJYMQD-UHFFFAOYSA-N |