N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
Formula:C28H20N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide |
| MolecularFormula | C28H20N3OClS |
| Smiles | O=C(c(cc1)ccc1-n1c(-c2ccccc2)ccc1-c1ccccc1)N/N=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C28H20ClN3OS/c29-27-18-15-24(34-27)19-30-31-28(33)22-11-13-23(14-12-22)32-25(20-7-3-1-4-8-20)16-17-26(32)21-9-5-2-6-10-21/h1-19H,(H,31,33) |
| InChIK | OOJSJZPKGONIMH-UHFFFAOYSA-N |
| TotalMolweight | 482.006 |
| Molweight | 482.006 |
| MonoisotopicMass | 481.101559 |
| CLogP | 7.5642 |
| CLogS | -10.353 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 366.83 |
| Relative PSA | 0.1724 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 6.3483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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