2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M060-0459 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | COc1cccc(CNC(CSc2c3c(c4cc(ccc4[nH]3)[Br])ncn2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.936 |
| logD: | 3.9351 |
| logSw: | -4.0697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.319 |
| InChI Key: | KWQSMUUXPQWACW-UHFFFAOYSA-N |