ethyl 4-[3-(3-methoxyphenyl)-7-oxo-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(3-methoxyphenyl)-7-oxo-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl]benzoate
ethyl 4-[3-(3-methoxyphenyl)-7-oxo-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0797 |
| Compound Name: | ethyl 4-[3-(3-methoxyphenyl)-7-oxo-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-3,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-6(2H)-yl]benzoate |
| Molecular Weight: | 562.69 |
| Molecular Formula: | C27 H22 N4 O4 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9854 |
| logD: | 4.9728 |
| logSw: | -4.3983 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 64.77 |
| InChI Key: | DCIUQLPQKKBLJP-UHFFFAOYSA-N |