(6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C25H23N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C25H23N5O3S |
| Smiles | N=C(/C1=C/c(cc2)ccc2OCc2ccccc2)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C25H23N5O3S/c26-23-20(14-17-8-10-19(11-9-17)33-16-18-6-2-1-3-7-18)24(32)27-25-30(23)28-21(34-25)15-22(31)29-12-4-5-13-29/h1-3,6-11,14,26H,4-5,12-13,15-16H2 |
| InChIK | OPIGFILVUYUDDW-UHFFFAOYSA-N |
| TotalMolweight | 473.556 |
| Molweight | 473.556 |
| MonoisotopicMass | 473.15216 |
| CLogP | 2.0976 |
| CLogS | -3.238 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 349.63 |
| Relative PSA | 0.28399 |
| PolarSurfaceArea | 123.72 |
| Druglikeness | 7.1422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(4-phenylmethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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