(6Z)-2-(2-chlorophenyl)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C31H20N5OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(6Z)-2-(2-chlorophenyl)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-2-(2-chlorophenyl)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C31H20N5OClS |
| Smiles | N=C(/C1=C/c2cn(Cc3cccc4ccccc34)c3c2cccc3)N2N=C(c(cccc3)c3Cl)SC2=NC1=O |
| InChI | InChI=1S/C31H20ClN5OS/c32-26-14-5-3-13-24(26)30-35-37-28(33)25(29(38)34-31(37)39-30)16-21-18-36(27-15-6-4-12-23(21)27)17-20-10-7-9-19-8-1-2-11-22(19)20/h1-16,18,33H,17H2 |
| InChIK | NKXZMRBBIGAZGE-UHFFFAOYSA-N |
| TotalMolweight | 546.053 |
| Molweight | 546.053 |
| MonoisotopicMass | 545.107707 |
| CLogP | 6.2737 |
| CLogS | -7.583 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 389.86 |
| Relative PSA | 0.2041 |
| PolarSurfaceArea | 99.11 |
| Druglikeness | 6.2665 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-2-(2-chlorophenyl)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-2-(2-chlorophenyl)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off