6-butyl-5-{[(3-nitrophenyl)methyl]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-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-butyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018874 |
| Compound Name: | 6-butyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C24 H24 N4 O3 S3 |
| Smiles: | CCCCN1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0839 |
| logD: | 6.0839 |
| logSw: | -5.2969 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 61.787 |
| InChI Key: | CSARFPQBPSLWLJ-UHFFFAOYSA-N |