1-(4-tert-butylphenyl)-4-[(5-propyl-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-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
1-(4-tert-butylphenyl)-4-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
Compound characteristics
| Compound ID: | D036-1733 |
| Compound Name: | 1-(4-tert-butylphenyl)-4-[(5-propyl-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: | CCCn1c2ccccc2c2c1nc(nn2)SCCCC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6118 |
| logD: | 6.6118 |
| logSw: | -5.8692 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.204 |
| InChI Key: | XPIJGGHJQVHMPN-UHFFFAOYSA-N |