N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D026-0012 |
| Compound Name: | N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 489.62 |
| Molecular Formula: | C24 H23 N7 O S2 |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(NC1=NN=C(CS1)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0757 |
| logD: | 5.0748 |
| logSw: | -4.8724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.789 |
| InChI Key: | XBPALLCXGBSFBL-UHFFFAOYSA-N |