[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea
Formula:C19H17N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea |
| MolecularFormula | C19H17N5O3 |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)=O |
| InChI | InChI=1S/C19H17N5O3/c20-19(25)22-21-11-14-12-24(15-4-2-1-3-5-15)23-18(14)13-6-7-16-17(10-13)27-9-8-26-16/h1-7,10-12H,8-9H2,(H3,20,22,25) |
| InChIK | YTLOOWBQOOMEAC-UHFFFAOYSA-N |
| TotalMolweight | 363.376 |
| Molweight | 363.376 |
| MonoisotopicMass | 363.13314 |
| CLogP | 2.0331 |
| CLogS | -4.509 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 277.25 |
| Relative PSA | 0.32144 |
| PolarSurfaceArea | 103.76 |
| Druglikeness | -1.4378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea | 2 - [(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea
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