N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C18H17N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C18H17N5O3S |
| Smiles | [O-][N+](c(cc(/C=N\Nc1nc(cccc2)c2s1)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C18H17N5O3S/c24-23(25)16-11-13(5-6-15(16)22-7-9-26-10-8-22)12-19-21-18-20-14-3-1-2-4-17(14)27-18/h1-6,11-12H,7-10H2,(H,20,21) |
| InChIK | ZVYFADCTBLZECK-UHFFFAOYSA-N |
| TotalMolweight | 383.431 |
| Molweight | 383.431 |
| MonoisotopicMass | 383.10521 |
| CLogP | 4.2203 |
| CLogS | -4.679 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 284.05 |
| Relative PSA | 0.34596 |
| PolarSurfaceArea | 123.81 |
| Druglikeness | -1.5738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-1,3-benzothiazol-2-amine
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