N-[5-(adamantan-1-yl)-2-bromophenyl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[5-(adamantan-1-yl)-2-bromophenyl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-[5-(adamantan-1-yl)-2-bromophenyl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8014-2727 |
| Compound Name: | N-[5-(adamantan-1-yl)-2-bromophenyl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 562.53 |
| Molecular Formula: | C28 H28 Br N5 O S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1cc(ccc1[Br])C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8099 |
| logD: | 6.8099 |
| logSw: | -5.9399 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.002 |
| InChI Key: | GEEXRIJYAULLMC-UHFFFAOYSA-N |