N-benzyl-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F092-0079 |
Compound Name: | N-benzyl-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
Molecular Weight: | 470.59 |
Molecular Formula: | C21 H18 N4 O3 S3 |
Smiles: | COc1cccc(c1)N1C2=C(C(NC(=N2)SCC(NCc2ccccc2)=O)=O)SC1=S |
Stereo: | ACHIRAL |
logP: | 3.1311 |
logD: | 3.1295 |
logSw: | -3.5361 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.311 |
InChI Key: | GGQMNDYTJGKZLW-UHFFFAOYSA-N |