2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M060-0504 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 457.35 |
| Molecular Formula: | C20 H17 Br N4 O2 S |
| Smiles: | COc1ccc(CNC(CSc2c3c(c4cc(ccc4[nH]3)[Br])ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7774 |
| logD: | 3.7765 |
| logSw: | -4.1412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.515 |
| InChI Key: | DRIRJULCNWCKIO-UHFFFAOYSA-N |