N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-nitropyridine-2-carboxamide
Formula:C29H20N5O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-nitropyridine-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-nitropyridine-2-carboxamide |
| MolecularFormula | C29H20N5O3Br |
| Smiles | [O-][N+](c(cc1)cnc1C(N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C29H20BrN5O3/c30-23-11-13-24(14-12-23)34-27(20-7-3-1-4-8-20)17-22(28(34)21-9-5-2-6-10-21)18-32-33-29(36)26-16-15-25(19-31-26)35(37)38/h1-19H,(H,33,36) |
| InChIK | KUYXLVLJOWMWQW-UHFFFAOYSA-N |
| TotalMolweight | 566.414 |
| Molweight | 566.414 |
| MonoisotopicMass | 565.074951 |
| CLogP | 5.7436 |
| CLogS | -10.113 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 396.53 |
| Relative PSA | 0.21252 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | -1.3443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-nitropyridine-2-carboxamide | 2 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-nitropyridine-2-carboxamide
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