methyl [(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
methyl [(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3698-0052 |
| Compound Name: | methyl [(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C15 H16 N4 O2 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7892 |
| logD: | 2.7892 |
| logSw: | -2.9352 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.807 |
| InChI Key: | DIJXUJCKKAJGHP-UHFFFAOYSA-N |