ethyl 2-{2-[(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-[(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-[(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: | 8009-7151 |
| Compound Name: | ethyl 2-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C21 H19 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nc2c(c3ccccc3[nH]2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3809 |
| logD: | 1.3092 |
| logSw: | -3.7549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.519 |
| InChI Key: | NEGRPJUAHKWJAE-UHFFFAOYSA-N |