(6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C17H12N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C17H12N4O3S |
| Smiles | N=C(/C1=C/c2ccco2)N2N=C(COc3ccccc3)SC2=NC1=O |
| InChI | InChI=1S/C17H12N4O3S/c18-15-13(9-12-7-4-8-23-12)16(22)19-17-21(15)20-14(25-17)10-24-11-5-2-1-3-6-11/h1-9,18H,10H2 |
| InChIK | SDQYDQLTQHGPBG-UHFFFAOYSA-N |
| TotalMolweight | 352.373 |
| Molweight | 352.373 |
| MonoisotopicMass | 352.063011 |
| CLogP | 0.7676 |
| CLogS | -2.468 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 255.97 |
| Relative PSA | 0.37821 |
| PolarSurfaceArea | 116.55 |
| Druglikeness | 4.643 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(phenoxymethyl)-[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