2-iodo-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
Formula:C30H23N4O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-iodo-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-iodo-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C30H23N4O2I |
| Smiles | O=C(c(cccc1)c1I)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C30H23IN4O2/c31-28-14-8-7-13-27(28)30(36)33-32-19-24-20-35(25-11-5-2-6-12-25)34-29(24)23-15-17-26(18-16-23)37-21-22-9-3-1-4-10-22/h1-20H,21H2,(H,33,36) |
| InChIK | TTXABSVSYCIFOX-UHFFFAOYSA-N |
| TotalMolweight | 598.439 |
| Molweight | 598.439 |
| MonoisotopicMass | 598.086574 |
| CLogP | 5.9058 |
| CLogS | -7.591 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 404.27 |
| Relative PSA | 0.15794 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.9585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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