N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
Formula:C30H23N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide is not a drug-like molecule.
| MolName | N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide |
| MolecularFormula | C30H23N3OCl2 |
| Smiles | O=C(CCn(c1c2cccc1)c(-c1ccccc1)c2-c1ccccc1)N/N=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C30H23Cl2N3O/c31-24-16-15-23(26(32)19-24)20-33-34-28(36)17-18-35-27-14-8-7-13-25(27)29(21-9-3-1-4-10-21)30(35)22-11-5-2-6-12-22/h1-16,19-20H,17-18H2,(H,34,36) |
| InChIK | IWKQBAICKJGERX-UHFFFAOYSA-N |
| TotalMolweight | 512.439 |
| Molweight | 512.439 |
| MonoisotopicMass | 511.121816 |
| CLogP | 7.9442 |
| CLogS | -8.982 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 388.67 |
| Relative PSA | 0.11032 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 6.4978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide | 2 - N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
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