ethyl (5-{2-[(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-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
ethyl (5-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 8014-1944 |
| Compound Name: | ethyl (5-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C19 H19 N7 O3 S2 |
| Smiles: | CCC(C(Nc1nnc(CC(=O)OCC)s1)=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9644 |
| logD: | 2.9213 |
| logSw: | -3.2961 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.096 |
| InChI Key: | SVHACSGBKCECMD-LBPRGKRZSA-N |