N-(2-morpholin-4-ylethyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C13H18N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-morpholin-4-ylethyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2-morpholin-4-ylethyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C13H18N4O3S |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)NCCN1CCOCC1 |
| InChI | InChI=1S/C13H18N4O3S/c18-12(14-3-4-17-5-7-20-8-6-17)13(19)16-15-10-11-2-1-9-21-11/h1-2,9-10H,3-8H2,(H,14,18)(H,16,19) |
| InChIK | FIKHCLWOOUSGIE-UHFFFAOYSA-N |
| TotalMolweight | 310.377 |
| Molweight | 310.377 |
| MonoisotopicMass | 310.109961 |
| CLogP | -0.0294 |
| CLogS | -1.518 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 241.74 |
| Relative PSA | 0.39058 |
| PolarSurfaceArea | 111.27 |
| Druglikeness | 6.6657 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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