(E)-3-(naphthalen-1-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C25H15N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(E)-3-(naphthalen-1-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(naphthalen-1-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\Nc1cccc2ccccc12 |
| InChI | InChI=1S/C25H15N3O2S/c26-13-18(14-27-21-10-5-8-16-6-1-3-9-19(16)21)24-28-22(15-31-24)20-12-17-7-2-4-11-23(17)30-25(20)29/h1-12,14-15,27H |
| InChIK | CLHGDABXUNAIMX-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 | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| 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 |
Click to Load Molecule:
1 - (E)-3-(naphthalen-1-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(naphthalen-1-ylamino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off