[(E)-[amino-[3-(thiophen-2-ylsulfanylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C19H16N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-(thiophen-2-ylsulfanylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-[3-(thiophen-2-ylsulfanylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C19H16N3O2ClS2 |
| Smiles | N/C(/c1cc(CSc2cccs2)ccc1)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H16ClN3O2S2/c20-15-6-8-16(9-7-15)22-19(24)25-23-18(21)14-4-1-3-13(11-14)12-27-17-5-2-10-26-17/h1-11H,12H2,(H2,21,23)(H,22,24) |
| InChIK | QQWGCVIJPCVEGW-UHFFFAOYSA-N |
| TotalMolweight | 417.94 |
| Molweight | 417.94 |
| MonoisotopicMass | 417.037244 |
| CLogP | 5.6225 |
| CLogS | -7.134 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 306.09 |
| Relative PSA | 0.32386 |
| PolarSurfaceArea | 130.25 |
| Druglikeness | -4.6629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-[3-(thiophen-2-ylsulfanylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[3-(thiophen-2-ylsulfanylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off