N-(4-bromo-3-methylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(4-bromo-3-methylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0058 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 427.32 |
| Molecular Formula: | C19 H15 Br N4 O S |
| Smiles: | Cc1cc(ccc1[Br])NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5536 |
| logD: | 4.5526 |
| logSw: | -4.3577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.649 |
| InChI Key: | ZYDKIKGMEWSLKA-UHFFFAOYSA-N |