4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
Formula:C29H32N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide is not a drug-like molecule.
| MolName | 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide |
| MolecularFormula | C29H32N6O4 |
| Smiles | O=C(CCC(N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)=O)Nc(cc1)nc(N2)c1NC2=O |
| InChI | InChI=1S/C29H32N6O4/c36-25(31-24-12-11-23-28(32-24)33-29(38)30-23)13-14-26(37)35-17-15-34(16-18-35)19-20-39-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,27H,13-20H2,(H3,30,31,32,33,36,38) |
| InChIK | CCCWGHHXQDSLQM-UHFFFAOYSA-N |
| TotalMolweight | 528.611 |
| Molweight | 528.611 |
| MonoisotopicMass | 528.248504 |
| CLogP | 2.9294 |
| CLogS | -4.873 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 405.35 |
| Relative PSA | 0.25057 |
| PolarSurfaceArea | 115.9 |
| Druglikeness | 7.219 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58974 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 11 |
| Symmetricatoms | 10 |
| Amides | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide | 2 - 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
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