5-methyl-4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methylidene)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methylidene)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methylidene)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8013-5677 |
| Compound Name: | 5-methyl-4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methylidene)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | CC1\C(=C/NCCc2c3ccccc3[nH]c2C)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9682 |
| logD: | 2.9673 |
| logSw: | -3.4816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.868 |
| InChI Key: | IPURMLYUOIIHQB-UHFFFAOYSA-N |