2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[1-(4-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[1-(4-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[1-(4-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y501-6807 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[1-(4-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one |
| Molecular Weight: | 538.4 |
| Molecular Formula: | C25 H24 Br N5 O4 |
| Smiles: | CCOc1ccc(cc1)C1c2c(CCN1C(Cn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3627 |
| logD: | 4.3627 |
| logSw: | -4.218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.959 |
| InChI Key: | MOWAKAYCKOMCST-XMMPIXPASA-N |