N-[(Z)-[2-[(4-bromophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
Formula:C22H17N3O4BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[2-[(4-bromophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide |
| MolecularFormula | C22H17N3O4BrClS |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CSc(cc2)ccc2Cl)=O)c1OCc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C22H17BrClN3O4S/c23-17-3-1-15(2-4-17)13-31-21-10-7-19(27(29)30)11-16(21)12-25-26-22(28)14-32-20-8-5-18(24)6-9-20/h1-12H,13-14H2,(H,26,28) |
| InChIK | CRLKHAYYYLMAPI-UHFFFAOYSA-N |
| TotalMolweight | 534.817 |
| Molweight | 534.817 |
| MonoisotopicMass | 532.981165 |
| CLogP | 5.1721 |
| CLogS | -7.634 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 359.48 |
| Relative PSA | 0.26127 |
| PolarSurfaceArea | 121.81 |
| Druglikeness | -2.3857 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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