N-(3-chloro-4-methoxyphenyl)-2-[7-(4-methoxyphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[7-(4-methoxyphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[7-(4-methoxyphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
Compound ID: | C201-1452 |
Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[7-(4-methoxyphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
Molecular Weight: | 495.94 |
Molecular Formula: | C23 H18 Cl N5 O4 S |
Smiles: | COc1ccc(cc1)c1csc2C3=NN(CC(Nc4ccc(c(c4)[Cl])OC)=O)C(N3C=Nc12)=O |
Stereo: | ACHIRAL |
logP: | 4.3713 |
logD: | 4.3712 |
logSw: | -4.6218 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.506 |
InChI Key: | PKBIKNMVQQVKNJ-UHFFFAOYSA-N |