(3Z)-1-phenyl-3-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)urea
Formula:C19H15N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-phenyl-3-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)urea is a drug-like molecule.
| MolName | (3Z)-1-phenyl-3-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)urea |
| MolecularFormula | C19H15N5O |
| Smiles | O=C(Nc1ccccc1)/N=C(/c1c(C2)cccc1)\N2c1ncccn1 |
| InChI | InChI=1S/C19H15N5O/c25-19(22-15-8-2-1-3-9-15)23-17-16-10-5-4-7-14(16)13-24(17)18-20-11-6-12-21-18/h1-12H,13H2,(H,22,25) |
| InChIK | PMIZRUXBTBNIBY-UHFFFAOYSA-N |
| TotalMolweight | 329.362 |
| Molweight | 329.362 |
| MonoisotopicMass | 329.12766 |
| CLogP | 2.7455 |
| CLogS | -4.632 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.04 |
| Relative PSA | 0.24304 |
| PolarSurfaceArea | 70.48 |
| Druglikeness | 2.568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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