N-(2-cyanophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(2-cyanophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8008-7512 |
| Compound Name: | N-(2-cyanophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 402.48 |
| Molecular Formula: | C21 H18 N6 O S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5864 |
| logD: | 3.5854 |
| logSw: | -3.7452 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.465 |
| InChI Key: | AVNNJTISUFOQHI-UHFFFAOYSA-N |