ethyl (5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
Chemical Structure Depiction of
ethyl (5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
ethyl (5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 8013-5969 |
| Compound Name: | ethyl (5-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C20 H21 N7 O3 S2 |
| Smiles: | CCC(C(Nc1nnc(CC(=O)OCC)s1)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2664 |
| logD: | 3.2234 |
| logSw: | -3.346 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.35 |
| InChI Key: | XICNUUJMMQQYKH-ZDUSSCGKSA-N |