2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | F796-0393 |
| Compound Name: | 2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 439.31 |
| Molecular Formula: | C21 H19 Br N4 O2 |
| Smiles: | C(Cc1ccccc1)CNC(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1818 |
| logD: | 3.1818 |
| logSw: | -3.323 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.61 |
| InChI Key: | LIAHVOYQULFYKV-UHFFFAOYSA-N |