methyl N-{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}leucinate
Chemical Structure Depiction of
methyl N-{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}leucinate
methyl N-{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}leucinate
Compound characteristics
| Compound ID: | 8008-7507 |
| Compound Name: | methyl N-{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}leucinate |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C21 H27 N5 O3 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(NC(CC(C)C)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4976 |
| logD: | 3.4976 |
| logSw: | -3.71 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.504 |
| InChI Key: | FKXXWVBOZIIFFE-HNNXBMFYSA-N |