N-[(Z)-[1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide
Formula:C30H21N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C30H21N4O2ClS |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2ccccc2)=O)c1)N1c(cc(cc2)Cl)c2Sc2c1cccc2 |
| InChI | InChI=1S/C30H21ClN4O2S/c31-22-14-15-28-26(16-22)35(25-12-6-7-13-27(25)38-28)29(36)19-34-18-21(23-10-4-5-11-24(23)34)17-32-33-30(37)20-8-2-1-3-9-20/h1-18H,19H2,(H,33,37) |
| InChIK | HUYOGDJDXJPCJV-UHFFFAOYSA-N |
| TotalMolweight | 537.042 |
| Molweight | 537.042 |
| MonoisotopicMass | 536.107373 |
| CLogP | 7.162 |
| CLogS | -8.32 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 391.53 |
| Relative PSA | 0.19656 |
| PolarSurfaceArea | 92 |
| Druglikeness | 6.7633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide | 2 - N-[(Z)-[1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]indol-3-yl]methylideneamino]benzamide
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