5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Formula:C27H15N5OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is not a drug-like molecule.
| MolName | 5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one |
| MolecularFormula | C27H15N5OCl2S |
| Smiles | O=C(c(sc1c2c(-c3ccccc3)c(-c3ccccc3)nn1)c2N=C1)N1/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C27H15Cl2N5OS/c28-19-12-11-18(20(29)13-19)14-31-34-15-30-24-22-21(16-7-3-1-4-8-16)23(17-9-5-2-6-10-17)32-33-26(22)36-25(24)27(34)35/h1-15H |
| InChIK | WRCVAWOGCGILSP-UHFFFAOYSA-N |
| TotalMolweight | 528.422 |
| Molweight | 528.422 |
| MonoisotopicMass | 527.037434 |
| CLogP | 6.3812 |
| CLogS | -9.965 |
| H Acceptors | 6 |
| TotalSurfaceArea | 375.51 |
| Relative PSA | 0.21813 |
| PolarSurfaceArea | 99.05 |
| Druglikeness | 5.6123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one | 2 - 5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-12,13-diphenyl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
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