ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-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]butanamido}-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]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6623-0375 |
| Compound Name: | ethyl 2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 509.65 |
| Molecular Formula: | C25 H27 N5 O3 S2 |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1765 |
| logD: | 2.6799 |
| logSw: | -5.2508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.62 |
| InChI Key: | IOIZBALQLHJWQM-KRWDZBQOSA-N |