(Z)-N-(5-nitro-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide
Formula:C18H13N3O3S
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-N-(5-nitro-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide is a drug-like molecule.
| MolName | (Z)-N-(5-nitro-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide |
| MolecularFormula | C18H13N3O3S |
| Smiles | [O-][N+](c1cnc(NC(/C(/c2ccccc2)=C\c2ccccc2)=O)s1)=O |
| InChI | InChI=1S/C18H13N3O3S/c22-17(20-18-19-12-16(25-18)21(23)24)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-12H,(H,19,20,22) |
| InChIK | SYHPWBRMUKUKFW-UHFFFAOYSA-N |
| TotalMolweight | 351.385 |
| Molweight | 351.385 |
| MonoisotopicMass | 351.067762 |
| CLogP | 3.3664 |
| CLogS | -4.798 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 265.07 |
| Relative PSA | 0.32539 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -1.9236 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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