2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{(E)-[(2,3-dimethoxyphenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Chemical Structure Depiction of
2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{(E)-[(2,3-dimethoxyphenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{(E)-[(2,3-dimethoxyphenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | IB09-0559 |
| Compound Name: | 2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{(E)-[(2,3-dimethoxyphenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Smiles: | COc1cccc(/C=N/n2c(c(C(NCCC3CCCCC=3)=O)c3c2nc2ccccc2n3)N)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.13 |
| logD: | 4.13 |
| logSw: | -4.97 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 136.01 |
| InChI Key: | MUQFASMRRLWYMT-UHFFFAOYSA-N |