ethyl 2-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2683-0097 |
| Compound Name: | ethyl 2-{2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C23 H23 N5 O3 S2 |
| Smiles: | CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1c(C(=O)OCC)c2CCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3933 |
| logD: | 2.3216 |
| logSw: | -4.3065 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.687 |
| InChI Key: | XZUAAERIEAYVGD-UHFFFAOYSA-N |