[bis[(2-chloro-6-fluorophenyl)methyl]amino] (NZ)-N-(2,2-dichloro-1-thiomorpholin-4-ylethylidene)carbamate
Formula:C21H19N3O2Cl4F2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[bis[(2-chloro-6-fluorophenyl)methyl]amino] (NZ)-N-(2,2-dichloro-1-thiomorpholin-4-ylethylidene)carbamate is not a drug-like molecule.
| MolName | [bis[(2-chloro-6-fluorophenyl)methyl]amino] (NZ)-N-(2,2-dichloro-1-thiomorpholin-4-ylethylidene)carbamate |
| MolecularFormula | C21H19N3O2Cl4F2S |
| Smiles | O=C(/N=C(/C(Cl)Cl)\N1CCSCC1)ON(Cc(c(F)ccc1)c1Cl)Cc(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C21H19Cl4F2N3O2S/c22-15-3-1-5-17(26)13(15)11-30(12-14-16(23)4-2-6-18(14)27)32-21(31)28-20(19(24)25)29-7-9-33-10-8-29/h1-6,19H,7-12H2 |
| InChIK | HRSTZEVJGYOTMP-UHFFFAOYSA-N |
| TotalMolweight | 557.275 |
| Molweight | 557.275 |
| MonoisotopicMass | 554.992011 |
| CLogP | 4.8626 |
| CLogS | -6.585 |
| H Acceptors | 5 |
| TotalSurfaceArea | 377.77 |
| Relative PSA | 0.15655 |
| PolarSurfaceArea | 70.44 |
| Druglikeness | -3.6131 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 12 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [bis[(2-chloro-6-fluorophenyl)methyl]amino] (NZ)-N-(2,2-dichloro-1-thiomorpholin-4-ylethylidene)carbamate | 2 - [bis[(2-chloro-6-fluorophenyl)methyl]amino] (NZ)-N-(2,2-dichloro-1-thiomorpholin-4-ylethylidene)carbamate
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