N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Formula:C19H21N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide |
| MolecularFormula | C19H21N5O4S |
| Smiles | O=C(CSc1ncccn1)N/N=C\c(cc1)ccc1OCC(N1CCOCC1)=O |
| InChI | InChI=1S/C19H21N5O4S/c25-17(14-29-19-20-6-1-7-21-19)23-22-12-15-2-4-16(5-3-15)28-13-18(26)24-8-10-27-11-9-24/h1-7,12H,8-11,13-14H2,(H,23,25) |
| InChIK | KCMXVYLMUPZDBS-UHFFFAOYSA-N |
| TotalMolweight | 415.473 |
| Molweight | 415.473 |
| MonoisotopicMass | 415.131425 |
| CLogP | 1.3425 |
| CLogS | -2.518 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 319.11 |
| Relative PSA | 0.35107 |
| PolarSurfaceArea | 131.31 |
| Druglikeness | 6.3627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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