4-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y501-1208 |
| Compound Name: | 4-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C21 H19 N5 O3 |
| Smiles: | CC1/C(=C/NCCc2c[nH]c3ccccc23)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8012 |
| logD: | 2.7995 |
| logSw: | -3.2419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.813 |
| InChI Key: | DRDCWIPPPVKSGW-UHFFFAOYSA-N |