(6Z)-6-[[3-chloro-4-(2-phenoxyethoxy)phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C26H24N5O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[[3-chloro-4-(2-phenoxyethoxy)phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-6-[[3-chloro-4-(2-phenoxyethoxy)phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C26H24N5O4ClS |
| Smiles | N=C(/C1=C/c(cc2)cc(Cl)c2OCCOc2ccccc2)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C26H24ClN5O4S/c27-20-15-17(8-9-21(20)36-13-12-35-18-6-2-1-3-7-18)14-19-24(28)32-26(29-25(19)34)37-22(30-32)16-23(33)31-10-4-5-11-31/h1-3,6-9,14-15,28H,4-5,10-13,16H2 |
| InChIK | ZVLBOFFMGDQFGE-UHFFFAOYSA-N |
| TotalMolweight | 538.027 |
| Molweight | 538.027 |
| MonoisotopicMass | 537.123752 |
| CLogP | 2.7105 |
| CLogS | -3.901 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 388.81 |
| Relative PSA | 0.28109 |
| PolarSurfaceArea | 132.95 |
| Druglikeness | 0.30234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.62162 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[[3-chloro-4-(2-phenoxyethoxy)phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[3-chloro-4-(2-phenoxyethoxy)phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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