2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M060-0433 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 441.35 |
| Molecular Formula: | C20 H17 Br N4 O S |
| Smiles: | Cc1ccc(CNC(CSc2c3c(c4cc(ccc4[nH]3)[Br])ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2184 |
| logD: | 4.2175 |
| logSw: | -4.2501 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.971 |
| InChI Key: | HQVXKXGHLRXCNP-UHFFFAOYSA-N |