(6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C28H21N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C28H21N5O2S |
| Smiles | N=C(/C1=C/c2cn(Cc3ccccc3)c3c2cccc3)N2N=C(COc3ccccc3)SC2=NC1=O |
| InChI | InChI=1S/C28H21N5O2S/c29-26-23(27(34)30-28-33(26)31-25(36-28)18-35-21-11-5-2-6-12-21)15-20-17-32(16-19-9-3-1-4-10-19)24-14-8-7-13-22(20)24/h1-15,17,29H,16,18H2 |
| InChIK | IVILSLANMKDZCX-UHFFFAOYSA-N |
| TotalMolweight | 491.574 |
| Molweight | 491.574 |
| MonoisotopicMass | 491.141595 |
| CLogP | 3.1086 |
| CLogS | -3.764 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 363.6 |
| Relative PSA | 0.24634 |
| PolarSurfaceArea | 108.34 |
| Druglikeness | 5.9877 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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