N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2-morpholin-4-ylacetamide
Formula:C19H19N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C19H19N4O4ClS |
| Smiles | [O-][N+](c(cc(/C=N\NC(CN1CCOCC1)=O)cc1)c1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H19ClN4O4S/c20-15-2-4-16(5-3-15)29-18-6-1-14(11-17(18)24(26)27)12-21-22-19(25)13-23-7-9-28-10-8-23/h1-6,11-12H,7-10,13H2,(H,22,25) |
| InChIK | MWZSRUAVBMANRX-UHFFFAOYSA-N |
| TotalMolweight | 434.903 |
| Molweight | 434.903 |
| MonoisotopicMass | 434.081553 |
| CLogP | 1.5993 |
| CLogS | -4.723 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 319.17 |
| Relative PSA | 0.30539 |
| PolarSurfaceArea | 125.05 |
| Druglikeness | 0.60853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2-morpholin-4-ylacetamide | 2 - N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2-morpholin-4-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off