N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C23H16N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C23H16N4Cl2S |
| Smiles | Clc(ccc(Cn1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3s2)c1)c1)c1Cl |
| InChI | InChI=1S/C23H16Cl2N4S/c24-18-10-9-15(11-19(18)25)13-29-14-16(17-5-1-3-7-21(17)29)12-26-28-23-27-20-6-2-4-8-22(20)30-23/h1-12,14H,13H2,(H,27,28) |
| InChIK | XASNDSOEQWYZFH-UHFFFAOYSA-N |
| TotalMolweight | 451.38 |
| Molweight | 451.38 |
| MonoisotopicMass | 450.04727 |
| CLogP | 8.385 |
| CLogS | -6.566 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 326.7 |
| Relative PSA | 0.18724 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | 4.5862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
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