2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0450 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 473.35 |
| Molecular Formula: | C20 H17 Br N4 O3 S |
| Smiles: | COc1ccc(cc1OC)NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6486 |
| logD: | 3.6477 |
| logSw: | -4.1019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.91 |
| InChI Key: | GNYCZCFNAOZBIU-UHFFFAOYSA-N |