2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F796-0396 |
| Compound Name: | 2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 471.31 |
| Molecular Formula: | C21 H19 Br N4 O4 |
| Smiles: | COc1ccc(CNC(CN2C=Nc3c4cc(ccc4[nH]c3C2=O)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0454 |
| logD: | 2.0454 |
| logSw: | -2.8531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.029 |
| InChI Key: | BJDKNIGKDKVXRP-UHFFFAOYSA-N |