N-[(Z)-(2-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
Formula:C19H16N3O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine |
| MolecularFormula | C19H16N3O2ClS |
| Smiles | Clc1c(/C=N\Nc2ncc(-c(cc3)cc4c3OCCCO4)s2)cccc1 |
| InChI | InChI=1S/C19H16ClN3O2S/c20-15-5-2-1-4-14(15)11-22-23-19-21-12-18(26-19)13-6-7-16-17(10-13)25-9-3-8-24-16/h1-2,4-7,10-12H,3,8-9H2,(H,21,23) |
| InChIK | VRVVPJGNLAIBEN-UHFFFAOYSA-N |
| TotalMolweight | 385.874 |
| Molweight | 385.874 |
| MonoisotopicMass | 385.065174 |
| CLogP | 7.2913 |
| CLogS | -6.177 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.9 |
| Relative PSA | 0.25898 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | 2.6997 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
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