ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl}benzoate
ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-0793 |
| Compound Name: | ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl}benzoate |
| Molecular Weight: | 569.72 |
| Molecular Formula: | C27 H27 N3 O5 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8011 |
| logD: | 5.8011 |
| logSw: | -5.4854 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 68.771 |
| InChI Key: | VOBVFFIGUZOLGY-UHFFFAOYSA-N |