N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C23H17N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C23H17N5O2S |
| Smiles | [O-][N+](c1ccc(Cn2c(cccc3)c3c(/C=N\Nc3nc(cccc4)c4s3)c2)cc1)=O |
| InChI | InChI=1S/C23H17N5O2S/c29-28(30)18-11-9-16(10-12-18)14-27-15-17(19-5-1-3-7-21(19)27)13-24-26-23-25-20-6-2-4-8-22(20)31-23/h1-13,15H,14H2,(H,25,26) |
| InChIK | WUGAGDSCLUBIAR-UHFFFAOYSA-N |
| TotalMolweight | 427.487 |
| Molweight | 427.487 |
| MonoisotopicMass | 427.110295 |
| CLogP | 6.081 |
| CLogS | -5.554 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 319.53 |
| Relative PSA | 0.28664 |
| PolarSurfaceArea | 116.27 |
| Druglikeness | -0.6895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
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