3-ethyl-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-ethyl-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
3-ethyl-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | K821-0111 |
Compound Name: | 3-ethyl-5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 427.48 |
Molecular Formula: | C20 H21 N5 O4 S |
Smiles: | CCN1C=Nc2c(C1=O)c(C)c(C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)s2 |
Stereo: | ACHIRAL |
logP: | 2.4611 |
logD: | 2.4611 |
logSw: | -2.502 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 79.528 |
InChI Key: | USNGILNJLAJRRC-UHFFFAOYSA-N |