N-(2-methylphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
Formula:C18H15N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-methylphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-(2-methylphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide |
| MolecularFormula | C18H15N3O3S |
| Smiles | Cc(cccc1)c1NC(Cc1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=O |
| InChI | InChI=1S/C18H15N3O3S/c1-12-5-2-3-8-15(12)19-17(22)10-18-20-16(11-25-18)13-6-4-7-14(9-13)21(23)24/h2-9,11H,10H2,1H3,(H,19,22) |
| InChIK | VPCJTMVYNFVUIS-UHFFFAOYSA-N |
| TotalMolweight | 353.401 |
| Molweight | 353.401 |
| MonoisotopicMass | 353.083412 |
| CLogP | 2.8078 |
| CLogS | -4.705 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.38 |
| Relative PSA | 0.32379 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -1.3669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| 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 | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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