(6Z)-5-imino-2-(phenoxymethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C17H12N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-2-(phenoxymethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-5-imino-2-(phenoxymethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C17H12N4O2S2 |
| Smiles | N=C(/C1=C/c2cccs2)N2N=C(COc3ccccc3)SC2=NC1=O |
| InChI | InChI=1S/C17H12N4O2S2/c18-15-13(9-12-7-4-8-24-12)16(22)19-17-21(15)20-14(25-17)10-23-11-5-2-1-3-6-11/h1-9,18H,10H2 |
| InChIK | SDMUNQZAQZDMHB-UHFFFAOYSA-N |
| TotalMolweight | 368.44 |
| Molweight | 368.44 |
| MonoisotopicMass | 368.040166 |
| CLogP | 1.4455 |
| CLogS | -2.796 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.22 |
| Relative PSA | 0.39303 |
| PolarSurfaceArea | 131.65 |
| Druglikeness | 5.3616 |
| Mutagenic | none |
| 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 |
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1 - (6Z)-5-imino-2-(phenoxymethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-2-(phenoxymethyl)-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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