(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
Formula:C22H15N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C22H15N3O3S |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc2nc(-c3cc4ccccc4cc3)cs2)=O)cc1)=O |
| InChI | InChI=1S/C22H15N3O3S/c26-21(12-7-15-5-10-19(11-6-15)25(27)28)24-22-23-20(14-29-22)18-9-8-16-3-1-2-4-17(16)13-18/h1-14H,(H,23,24,26) |
| InChIK | ULGVZQGYUFCPJF-UHFFFAOYSA-N |
| TotalMolweight | 401.445 |
| Molweight | 401.445 |
| MonoisotopicMass | 401.083412 |
| CLogP | 4.7846 |
| CLogS | -7.075 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.46 |
| Relative PSA | 0.28611 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -3.7143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide | 2 - (E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
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