N-[(E)-(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
Formula:C30H24N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide is not a drug-like molecule.
| MolName | N-[(E)-(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide |
| MolecularFormula | C30H24N3OBr |
| Smiles | O=C(CCn(c1c2cccc1)c(-c1ccccc1)c2-c1ccccc1)N/N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C30H24BrN3O/c31-25-17-15-22(16-18-25)21-32-33-28(35)19-20-34-27-14-8-7-13-26(27)29(23-9-3-1-4-10-23)30(34)24-11-5-2-6-12-24/h1-18,21H,19-20H2,(H,33,35) |
| InChIK | QZYWNEAFTBUKIB-UHFFFAOYSA-N |
| TotalMolweight | 522.445 |
| Molweight | 522.445 |
| MonoisotopicMass | 521.110273 |
| CLogP | 7.4574 |
| CLogS | -8.344 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 376.46 |
| Relative PSA | 0.1139 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 4.6881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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