(6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C26H25N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-2-(2-oxo-2-pyrrolidin-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-pyrrolidin-1-ylethyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C26H25N5O4S |
| Smiles | N=C(/C1=C/c(cc2)ccc2OCCOc2ccccc2)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C26H25N5O4S/c27-24-21(16-18-8-10-20(11-9-18)35-15-14-34-19-6-2-1-3-7-19)25(33)28-26-31(24)29-22(36-26)17-23(32)30-12-4-5-13-30/h1-3,6-11,16,27H,4-5,12-15,17H2 |
| InChIK | ODSMYELMZXUJDP-UHFFFAOYSA-N |
| TotalMolweight | 503.582 |
| Molweight | 503.582 |
| MonoisotopicMass | 503.162725 |
| CLogP | 2.1045 |
| CLogS | -3.165 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 373.39 |
| Relative PSA | 0.2927 |
| PolarSurfaceArea | 132.95 |
| Druglikeness | 0.26217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.63889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (6Z)-5-imino-2-(2-oxo-2-pyrrolidin-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-pyrrolidin-1-ylethyl)-6-[[4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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