N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
Formula:C23H23N5O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide |
| MolecularFormula | C23H23N5O5S |
| Smiles | [O-][N+](c(cc1)ccc1SCC(N/N=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2)=O)=O |
| InChI | InChI=1S/C23H23N5O5S/c29-22(16-34-19-7-5-18(6-8-19)28(31)32)25-24-13-17-14-27(21-4-2-1-3-20(17)21)15-23(30)26-9-11-33-12-10-26/h1-8,13-14H,9-12,15-16H2,(H,25,29) |
| InChIK | GOMLRONMXYCWRW-UHFFFAOYSA-N |
| TotalMolweight | 481.532 |
| Molweight | 481.532 |
| MonoisotopicMass | 481.14199 |
| CLogP | 1.8339 |
| CLogS | -4.088 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 359.06 |
| Relative PSA | 0.32691 |
| PolarSurfaceArea | 147.05 |
| Druglikeness | 1.5685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide | 2 - N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
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