ethyl [5-(2-{[5-(propan-2-yl)-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-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-1,3,4-thiadiazol-2-yl]acetate
ethyl [5-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-1,3,4-thiadiazol-2-yl]acetate
Compound characteristics
| Compound ID: | 8013-5912 |
| Compound Name: | ethyl [5-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-1,3,4-thiadiazol-2-yl]acetate |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C22 H25 N7 O3 S2 |
| Smiles: | CCC(C(Nc1nnc(CC(=O)OCC)s1)=O)Sc1nc2c(c3ccccc3n2C(C)C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0982 |
| logD: | 4.0551 |
| logSw: | -4.0534 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.616 |
| InChI Key: | GUAFVQQHNHWUMD-HNNXBMFYSA-N |