N-(2-bromo-4-methylphenyl)-N'-[(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]urea
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-N'-[(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]urea
N-(2-bromo-4-methylphenyl)-N'-[(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]urea
Compound characteristics
| Compound ID: | C066-4258 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-N'-[(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]urea |
| Molecular Weight: | 440.3 |
| Molecular Formula: | C20 H18 Br N5 O2 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(NCN1C(c2c(C=N1)c1ccccc1n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2076 |
| logD: | 3.2076 |
| logSw: | -3.2826 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.006 |
| InChI Key: | CBQKLJAIZLJIDU-UHFFFAOYSA-N |