N-[(Z)-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C24H19N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C24H19N4OClS |
| Smiles | Clc(cccc1)c1OCCn1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3s2)c1 |
| InChI | InChI=1S/C24H19ClN4OS/c25-19-8-2-5-11-22(19)30-14-13-29-16-17(18-7-1-4-10-21(18)29)15-26-28-24-27-20-9-3-6-12-23(20)31-24/h1-12,15-16H,13-14H2,(H,27,28) |
| InChIK | BBASBMXLZOUREY-UHFFFAOYSA-N |
| TotalMolweight | 446.961 |
| Molweight | 446.961 |
| MonoisotopicMass | 446.096808 |
| CLogP | 7.6962 |
| CLogS | -5.995 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.04 |
| Relative PSA | 0.21242 |
| PolarSurfaceArea | 79.68 |
| Druglikeness | 4.6879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off