ethyl 2-{2-[(5-methyl-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-methyl-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-methyl-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: | 6623-1161 |
| Compound Name: | ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C22 H21 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nc2c(c3ccccc3n2C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6829 |
| logD: | 1.6113 |
| logSw: | -4.188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.772 |
| InChI Key: | MDAJAIKACYSZTD-UHFFFAOYSA-N |