2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
Formula:C18H21N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C18H21N4OBrS |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C18H21BrN4OS/c19-17-7-6-16(25-17)12-20-21-18(24)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,24) |
| InChIK | IYASHVQSDYCQAY-UHFFFAOYSA-N |
| TotalMolweight | 421.362 |
| Molweight | 421.362 |
| MonoisotopicMass | 420.061942 |
| CLogP | 3.3443 |
| CLogS | -3.427 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.22 |
| Relative PSA | 0.21795 |
| PolarSurfaceArea | 76.18 |
| Druglikeness | 6.7413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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