[(E)-[1-amino-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C18H18N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C18H18N3O3ClS2 |
| Smiles | N/C(/COc1ccc(C2SCCS2)cc1)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C18H18ClN3O3S2/c19-13-3-5-14(6-4-13)21-18(23)25-22-16(20)11-24-15-7-1-12(2-8-15)17-26-9-10-27-17/h1-8,17H,9-11H2,(H2,20,22)(H,21,23) |
| InChIK | LZFKXUADLABPSS-UHFFFAOYSA-N |
| TotalMolweight | 423.944 |
| Molweight | 423.944 |
| MonoisotopicMass | 423.047809 |
| CLogP | 3.8705 |
| CLogS | -5.725 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 304.4 |
| Relative PSA | 0.34908 |
| PolarSurfaceArea | 136.54 |
| Druglikeness | -8.8372 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[1-amino-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethylidene]amino] N-(4-chlorophenyl)carbamate
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