N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | 6623-0397 |
| Compound Name: | N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 453.59 |
| Molecular Formula: | C21 H23 N7 O S2 |
| Smiles: | CCC(C(Nc1nnc(C(C)C)s1)=O)Sc1nc2c(c3ccccc3n2CC=C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.03 |
| logD: | 4.9127 |
| logSw: | -4.7707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.864 |
| InChI Key: | HKERDHOGNOALBA-HNNXBMFYSA-N |