[(E)-[1-amino-2-(5-chloro-1-benzothiophen-3-yl)ethylidene]amino] N-phenylcarbamate
Formula:C17H14N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-(5-chloro-1-benzothiophen-3-yl)ethylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(5-chloro-1-benzothiophen-3-yl)ethylidene]amino] N-phenylcarbamate |
| MolecularFormula | C17H14N3O2ClS |
| Smiles | N/C(/Cc1csc(cc2)c1cc2Cl)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C17H14ClN3O2S/c18-12-6-7-15-14(9-12)11(10-24-15)8-16(19)21-23-17(22)20-13-4-2-1-3-5-13/h1-7,9-10H,8H2,(H2,19,21)(H,20,22) |
| InChIK | XYZNSRMWBKTOKS-UHFFFAOYSA-N |
| TotalMolweight | 359.836 |
| Molweight | 359.836 |
| MonoisotopicMass | 359.049524 |
| CLogP | 4.5091 |
| CLogS | -5.992 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.44 |
| Relative PSA | 0.3099 |
| PolarSurfaceArea | 104.95 |
| Druglikeness | -4.6693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-(5-chloro-1-benzothiophen-3-yl)ethylidene]amino] N-phenylcarbamate | 2 - [(E)-[1-amino-2-(5-chloro-1-benzothiophen-3-yl)ethylidene]amino] N-phenylcarbamate
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