5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3-methoxyphenyl)-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3-methoxyphenyl)-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3-methoxyphenyl)-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0885 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3-methoxyphenyl)-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 511.68 |
| Molecular Formula: | C25 H25 N3 O3 S3 |
| Smiles: | Cc1ccccc1N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6278 |
| logD: | 5.6278 |
| logSw: | -5.4266 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.716 |
| InChI Key: | HHGPBJCPTYSDII-UHFFFAOYSA-N |