ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | 6623-1172 |
Compound Name: | ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 481.59 |
Molecular Formula: | C23 H23 N5 O3 S2 |
Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc2c(c3ccccc3n2C)nn1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0932 |
logD: | 2.042 |
logSw: | -4.2038 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.406 |
InChI Key: | SOKJZGSUNGNRJU-UHFFFAOYSA-N |