ethyl 2-{2-[(5-propyl-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-propyl-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-propyl-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: | 4715-0019 |
| Compound Name: | ethyl 2-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 537.7 |
| Molecular Formula: | C27 H31 N5 O3 S2 |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SC(CC)C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3444 |
| logD: | 3.8477 |
| logSw: | -5.7464 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.788 |
| InChI Key: | KSZNLFVVZSJINC-IBGZPJMESA-N |