5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethylphenyl)-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-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3440 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 419.59 |
| Molecular Formula: | C19 H21 N3 O2 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(C(C)(C)C)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.3448 |
| logD: | 4.3432 |
| logSw: | -4.2094 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.814 |
| InChI Key: | XXWJKXPFWLDRJR-UHFFFAOYSA-N |