N-(2-methoxy-5-nitrophenyl)-2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-(2-methoxy-5-nitrophenyl)-2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
Compound ID: | C138-1197 |
Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
Molecular Weight: | 536.58 |
Molecular Formula: | C21 H24 N6 O7 S2 |
Smiles: | Cc1c(c2C(N(CC(Nc3cc(ccc3OC)[N+]([O-])=O)=O)C=Nc2s1)=O)S(N1CCN(C)CC1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 0.6942 |
logD: | 0.6171 |
logSw: | -2.6777 |
Hydrogen bond acceptors count: | 16 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 124.892 |
InChI Key: | NMCGNFVSOXYINU-UHFFFAOYSA-N |