2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-bromophenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-bromophenyl)acetamide
2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-bromophenyl)acetamide
Compound characteristics
| Compound ID: | F394-0448 |
| Compound Name: | 2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-bromophenyl)acetamide |
| Molecular Weight: | 501.38 |
| Molecular Formula: | C26 H21 Br N4 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3347 |
| logD: | 5.3344 |
| logSw: | -5.4479 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | JGIDLXKCZGSGQG-UHFFFAOYSA-N |