5-nitro-2-N,4-N-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine
Formula:C24H19N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-2-N,4-N-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine is not a drug-like molecule.
| MolName | 5-nitro-2-N,4-N-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine |
| MolecularFormula | C24H19N5O2 |
| Smiles | [O-][N+](c1c(Nc2ccccc2)nc(Nc2ccccc2)nc1/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C24H19N5O2/c30-29(31)22-21(17-16-18-10-4-1-5-11-18)27-24(26-20-14-8-3-9-15-20)28-23(22)25-19-12-6-2-7-13-19/h1-17H,(H2,25,26,27,28) |
| InChIK | GIZRZQBMFJXMSU-UHFFFAOYSA-N |
| TotalMolweight | 409.448 |
| Molweight | 409.448 |
| MonoisotopicMass | 409.153875 |
| CLogP | 5.2175 |
| CLogS | -7.184 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 323.15 |
| Relative PSA | 0.23296 |
| PolarSurfaceArea | 95.66 |
| Druglikeness | -5.9119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-nitro-2-N,4-N-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine | 2 - 5-nitro-2-N,4-N-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine
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