3-(1-benzyl-5-nitro-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(3-nitrophenyl)propan-1-one
Chemical Structure Depiction of
3-(1-benzyl-5-nitro-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(3-nitrophenyl)propan-1-one
3-(1-benzyl-5-nitro-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(3-nitrophenyl)propan-1-one
Compound characteristics
| Compound ID: | V029-1151 |
| Compound Name: | 3-(1-benzyl-5-nitro-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(3-nitrophenyl)propan-1-one |
| Molecular Weight: | 541.61 |
| Molecular Formula: | C30 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(CC(c1cccc(c1)[N+]([O-])=O)c1cn(Cc2ccccc2)c2ccc(cc12)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8259 |
| logD: | 4.5054 |
| logSw: | -4.5865 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.12 |
| InChI Key: | JYEXTUDLWZMKLF-AREMUKBSSA-N |