(6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C25H22N5O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C25H22N5O4ClS |
| Smiles | N=C(/C1=C/c(cc2)ccc2OCc(cccc2)c2Cl)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C25H22ClN5O4S/c26-20-4-2-1-3-17(20)15-35-18-7-5-16(6-8-18)13-19-23(27)31-25(28-24(19)33)36-21(29-31)14-22(32)30-9-11-34-12-10-30/h1-8,13,27H,9-12,14-15H2 |
| InChIK | UUDQLXDUYOFRPJ-UHFFFAOYSA-N |
| TotalMolweight | 524 |
| Molweight | 524 |
| MonoisotopicMass | 523.108102 |
| CLogP | 1.8816 |
| CLogS | -3.355 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 375.05 |
| Relative PSA | 0.2914 |
| PolarSurfaceArea | 132.95 |
| Druglikeness | 6.574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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