1-(4-tert-butylphenyl)-4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
Chemical Structure Depiction of
1-(4-tert-butylphenyl)-4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
1-(4-tert-butylphenyl)-4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
Compound characteristics
| Compound ID: | D036-1732 |
| Compound Name: | 1-(4-tert-butylphenyl)-4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C24 H26 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(CCCSc1nc2c(c3ccccc3n2C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4439 |
| logD: | 5.4439 |
| logSw: | -5.5329 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.035 |
| InChI Key: | NLFMOXCVBCUNJO-UHFFFAOYSA-N |