(6Z)-6-[(4-chlorophenyl)methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C18H17N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[(4-chlorophenyl)methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-6-[(4-chlorophenyl)methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C18H17N4OClS |
| Smiles | N=C(/C1=C/c(cc2)ccc2Cl)N2N=C(C3CCCCC3)SC2=NC1=O |
| InChI | InChI=1S/C18H17ClN4OS/c19-13-8-6-11(7-9-13)10-14-15(20)23-18(21-16(14)24)25-17(22-23)12-4-2-1-3-5-12/h6-10,12,20H,1-5H2 |
| InChIK | ZOLPJWPCPMREPG-UHFFFAOYSA-N |
| TotalMolweight | 372.879 |
| Molweight | 372.879 |
| MonoisotopicMass | 372.081158 |
| CLogP | 2.5103 |
| CLogS | -3.898 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.98 |
| Relative PSA | 0.27333 |
| PolarSurfaceArea | 94.18 |
| Druglikeness | 0.16135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (6Z)-6-[(4-chlorophenyl)methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[(4-chlorophenyl)methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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