[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate
Formula:C17H10N4O2Cl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate |
| MolecularFormula | C17H10N4O2Cl4S |
| Smiles | N/C(/c(c(Cl)ccc1)c1Cl)=N/OC(Nc1csnc1-c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C17H10Cl4N4O2S/c18-8-3-1-4-9(19)13(8)15-12(7-28-25-15)23-17(26)27-24-16(22)14-10(20)5-2-6-11(14)21/h1-7H,(H2,22,24)(H,23,26) |
| InChIK | KMZGWRUDQXEAQD-UHFFFAOYSA-N |
| TotalMolweight | 476.17 |
| Molweight | 476.17 |
| MonoisotopicMass | 473.927854 |
| CLogP | 6.5159 |
| CLogS | -7.014 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 319.86 |
| Relative PSA | 0.28953 |
| PolarSurfaceArea | 117.84 |
| Druglikeness | -9.257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate | 2 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate
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