(E)-3-(naphthalen-2-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C25H15N3O2S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
(E)-3-(naphthalen-2-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(naphthalen-2-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C25H15N3O2S |
| Smiles | N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C25H15N3O2S/c26-13-19(14-27-20-10-9-16-5-1-2-6-17(16)11-20)24-28-22(15-31-24)21-12-18-7-3-4-8-23(18)30-25(21)29/h1-12,14-15,27H |
| InChIK | AATRYOUTOXHIRO-UHFFFAOYSA-N |
| TotalMolweight | 421.479 |
| Molweight | 421.479 |
| MonoisotopicMass | 421.088497 |
| CLogP | 3.6748 |
| CLogS | -5.946 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.92 |
| Relative PSA | 0.24893 |
| PolarSurfaceArea | 103.25 |
| Druglikeness | -1.1187 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(naphthalen-2-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(naphthalen-2-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
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