(5Z)-2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one
Formula:C25H18N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C25H18N2O2S |
| Smiles | NC(S/C1=C\c(c2ccccc2cc2)c2OCc2cccc3ccccc23)=NC1=O |
| InChI | InChI=1S/C25H18N2O2S/c26-25-27-24(28)23(30-25)14-21-20-11-4-2-7-17(20)12-13-22(21)29-15-18-9-5-8-16-6-1-3-10-19(16)18/h1-14H,15H2,(H2,26,27,28) |
| InChIK | DINCSJDOBKQPKA-UHFFFAOYSA-N |
| TotalMolweight | 410.496 |
| Molweight | 410.496 |
| MonoisotopicMass | 410.108898 |
| CLogP | 4.7349 |
| CLogS | -7.842 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.92 |
| Relative PSA | 0.22147 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | 2.0205 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one
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