ethyl 2-{2-[(5-propyl-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-propyl-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-propyl-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: | 3698-0056 |
| Compound Name: | ethyl 2-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C24 H25 N5 O3 S2 |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1c(C(=O)OCC)c2CCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8508 |
| logD: | 2.7791 |
| logSw: | -4.8074 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.941 |
| InChI Key: | OIWABTZPGPEYCC-UHFFFAOYSA-N |