(E)-N-(2-amino-4-chlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide
CAS: 2619408-35-2
| 1 | (E)-N-(2-amino-4-chlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide |
No description available for this item
| Molecular Formula | C23H23ClN4O4 |
|---|---|
| Canonical SMILES | COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC=N2)/C=C/C(=O)NC3=C(C=C(C=C3)Cl)N |
| Isomeric SMILES | COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC=N2)/C=C/C(=O)NC3=C(C=C(C=C3)Cl)N |
| Molecular Weight | 454.9000 |
| InChIKey | YSFYRKXJHMUIRN-RMKNXTFCSA-N |
| InChI | InChI=1S/C23H23ClN4O4/c1-30-19-12-16(13-20(31-2)22(19)32-3)27-23-14(5-4-10-26-23)6-9-21(29)28-18-8-7-15(24)11-17(18)25/h4-13H,25H2,1-3H3,(H,26,27)(H,28,29)/b9-6+ |
| XLogP | 3.8000 |
| ExactMass | 454.1400 |
| MonoisotopicMass | 454.1400 |
| TPSA | 108.0000 |
| Complexity | 611.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 7 |
| RotatableBondCount | 8 |
| HeavyAtomCount | 32 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1 |
| PatentFamilyCount | 1 |
| LiteratureCount | 0 |