3-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
3-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | F797-0356 |
| Compound Name: | 3-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide |
| Molecular Weight: | 455.31 |
| Molecular Formula: | C21 H19 Br N4 O3 |
| Smiles: | COc1ccccc1CNC(CCN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8234 |
| logD: | 2.8234 |
| logSw: | -3.3827 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.377 |
| InChI Key: | ZSONTOLMEIADSI-UHFFFAOYSA-N |