ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)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-[(4-ethoxy-2,4-dioxobutyl)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-[(4-ethoxy-2,4-dioxobutyl)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: | K286-0796 |
| Compound Name: | ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl}benzoate |
| Molecular Weight: | 599.7 |
| Molecular Formula: | C27 H25 N3 O7 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(C(N1c1ccc(cc1)C(=O)OCC)=O)SC(N2c1cccc(c1)OC)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4712 |
| logD: | 4.4712 |
| logSw: | -4.4083 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 88.438 |
| InChI Key: | AZDIQPPIFPJZDD-UHFFFAOYSA-N |