2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0435 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 443.32 |
| Molecular Formula: | C19 H15 Br N4 O2 S |
| Smiles: | COc1ccc(cc1)NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0961 |
| logD: | 4.0952 |
| logSw: | -4.3548 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.193 |
| InChI Key: | SSUOFMFJPYSUTD-UHFFFAOYSA-N |