(7E)-7-(azepan-2-ylidene)-2,5-diphenylimidazo[1,2-b]pyrazol-6-one
Formula:C23H22N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-7-(azepan-2-ylidene)-2,5-diphenylimidazo[1,2-b]pyrazol-6-one is a drug-like molecule.
| MolName | (7E)-7-(azepan-2-ylidene)-2,5-diphenylimidazo[1,2-b]pyrazol-6-one |
| MolecularFormula | C23H22N4O |
| Smiles | O=C(/C1=C2/NCCCCC2)N(c2ccccc2)n2c1nc(-c1ccccc1)c2 |
| InChI | InChI=1S/C23H22N4O/c28-23-21(19-14-8-3-9-15-24-19)22-25-20(17-10-4-1-5-11-17)16-26(22)27(23)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,24H,3,8-9,14-15H2 |
| InChIK | NMUUTUMVRGODPD-UHFFFAOYSA-N |
| TotalMolweight | 370.455 |
| Molweight | 370.455 |
| MonoisotopicMass | 370.179361 |
| CLogP | 2.9996 |
| CLogS | -6.698 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.97 |
| Relative PSA | 0.16103 |
| PolarSurfaceArea | 50.16 |
| Druglikeness | -0.91748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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