4-(4-chlorophenyl)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyl-1,3-thiazol-2-amine
Formula:C29H21N3OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
4-(4-chlorophenyl)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(4-chlorophenyl)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyl-1,3-thiazol-2-amine |
| MolecularFormula | C29H21N3OCl2S |
| Smiles | Clc1ccc(COc2ccc(/C=N\Nc3nc(-c(cc4)ccc4Cl)c(-c4ccccc4)s3)cc2)cc1 |
| InChI | InChI=1S/C29H21Cl2N3OS/c30-24-12-6-21(7-13-24)19-35-26-16-8-20(9-17-26)18-32-34-29-33-27(22-10-14-25(31)15-11-22)28(36-29)23-4-2-1-3-5-23/h1-18H,19H2,(H,33,34) |
| InChIK | XXEGDPOKJDFVQN-UHFFFAOYSA-N |
| TotalMolweight | 530.478 |
| Molweight | 530.478 |
| MonoisotopicMass | 529.078236 |
| CLogP | 10.675 |
| CLogS | -9.58 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 397.82 |
| Relative PSA | 0.16163 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 3.4768 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(4-chlorophenyl)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyl-1,3-thiazol-2-amine | 2 - 4-(4-chlorophenyl)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-phenyl-1,3-thiazol-2-amine
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