[(Z)-(2,6-dichlorophenyl)methylideneamino] N-[2-(thiophen-3-ylmethyl)-1,3-thiazol-4-yl]carbamate
Formula:C16H11N3O2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[(Z)-(2,6-dichlorophenyl)methylideneamino] N-[2-(thiophen-3-ylmethyl)-1,3-thiazol-4-yl]carbamate is not a drug-like molecule.
| MolName | [(Z)-(2,6-dichlorophenyl)methylideneamino] N-[2-(thiophen-3-ylmethyl)-1,3-thiazol-4-yl]carbamate |
| MolecularFormula | C16H11N3O2Cl2S2 |
| Smiles | O=C(Nc1csc(Cc2cscc2)n1)O/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C16H11Cl2N3O2S2/c17-12-2-1-3-13(18)11(12)7-19-23-16(22)21-14-9-25-15(20-14)6-10-4-5-24-8-10/h1-5,7-9H,6H2,(H,21,22) |
| InChIK | KZPMVHZAYGQORU-UHFFFAOYSA-N |
| TotalMolweight | 412.32 |
| Molweight | 412.32 |
| MonoisotopicMass | 410.966971 |
| CLogP | 5.9058 |
| CLogS | -6.925 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.99 |
| Relative PSA | 0.3346 |
| PolarSurfaceArea | 120.06 |
| Druglikeness | -3.3489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-(2,6-dichlorophenyl)methylideneamino] N-[2-(thiophen-3-ylmethyl)-1,3-thiazol-4-yl]carbamate | 2 - [(Z)-(2,6-dichlorophenyl)methylideneamino] N-[2-(thiophen-3-ylmethyl)-1,3-thiazol-4-yl]carbamate
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