methyl N-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}leucinate
Chemical Structure Depiction of
methyl N-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}leucinate
methyl N-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}leucinate
Compound characteristics
| Compound ID: | 8008-7026 |
| Compound Name: | methyl N-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}leucinate |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | CC(C)CC(C(=O)OC)NC(CSc1nc2c(c3ccccc3n2C)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3298 |
| logD: | 2.3298 |
| logSw: | -2.6571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.336 |
| InChI Key: | LDAKBOGAUUIQTO-ZDUSSCGKSA-N |