5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3-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-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-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0098 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C20 H22 N4 O3 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(NC(=N2)SCC(N2CCCCCC2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.2086 |
| logD: | 3.2069 |
| logSw: | -3.4783 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.563 |
| InChI Key: | XEGAUEZJJSTZJO-UHFFFAOYSA-N |