(6Z)-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C27H27N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C27H27N5O4S |
| Smiles | N=C(/C1=C/c(cc2)ccc2OCCOc2ccccc2)N2N=C(CC(N3CCCCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C27H27N5O4S/c28-25-22(17-19-9-11-21(12-10-19)36-16-15-35-20-7-3-1-4-8-20)26(34)29-27-32(25)30-23(37-27)18-24(33)31-13-5-2-6-14-31/h1,3-4,7-12,17,28H,2,5-6,13-16,18H2 |
| InChIK | ROOISQCDGXZRMW-UHFFFAOYSA-N |
| TotalMolweight | 517.608 |
| Molweight | 517.608 |
| MonoisotopicMass | 517.178375 |
| CLogP | 2.4465 |
| CLogS | -3.435 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 387.15 |
| Relative PSA | 0.28229 |
| PolarSurfaceArea | 132.95 |
| Druglikeness | -1.7256 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64865 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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