6-butyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-butyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-butyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018914 |
| Compound Name: | 6-butyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 495.68 |
| Molecular Formula: | C25 H25 N3 O2 S3 |
| Smiles: | CCCCN1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6418 |
| logD: | 5.6418 |
| logSw: | -5.2794 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 41.653 |
| InChI Key: | XCBXAKFDKISUIM-UHFFFAOYSA-N |