1-(4-tert-butylphenyl)-4-{[5-(propan-2-yl)-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-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
1-(4-tert-butylphenyl)-4-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Compound characteristics
| Compound ID: | D036-1735 |
| Compound Name: | 1-(4-tert-butylphenyl)-4-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one |
| Molecular Weight: | 446.61 |
| Molecular Formula: | C26 H30 N4 O S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCCCC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2757 |
| logD: | 6.2757 |
| logSw: | -5.6321 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.301 |
| InChI Key: | JMLJCSOUHQBWOP-UHFFFAOYSA-N |