N-[(E)-(3-benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-1-phenylethenamine
Formula:C24H21N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(3-benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-1-phenylethenamine is not a drug-like molecule.
| MolName | N-[(E)-(3-benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-1-phenylethenamine |
| MolecularFormula | C24H21N3S |
| Smiles | C=C(c1ccccc1)N/N=C1/SC=C(c2ccccc2)N1Cc1ccccc1 |
| InChI | InChI=1S/C24H21N3S/c1-19(21-13-7-3-8-14-21)25-26-24-27(17-20-11-5-2-6-12-20)23(18-28-24)22-15-9-4-10-16-22/h2-16,18,25H,1,17H2 |
| InChIK | PFUGMRVRHSLGFD-UHFFFAOYSA-N |
| TotalMolweight | 383.518 |
| Molweight | 383.518 |
| MonoisotopicMass | 383.145617 |
| CLogP | 5.805 |
| CLogS | -5.888 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 302.72 |
| Relative PSA | 0.14538 |
| PolarSurfaceArea | 52.93 |
| Druglikeness | 1.293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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