(4E)-1,2-diphenyl-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)cyclopent-2-en-1-ol
Formula:C27H24N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-1,2-diphenyl-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)cyclopent-2-en-1-ol is not a drug-like molecule.
| MolName | (4E)-1,2-diphenyl-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)cyclopent-2-en-1-ol |
| MolecularFormula | C27H24N4OS |
| Smiles | OC(C1)(C(c2ccccc2)=C/C1=N/Nc1c(c(CCCC2)c2s2)c2ncn1)c1ccccc1 |
| InChI | InChI=1S/C27H24N4OS/c32-27(19-11-5-2-6-12-19)16-20(15-22(27)18-9-3-1-4-10-18)30-31-25-24-21-13-7-8-14-23(21)33-26(24)29-17-28-25/h1-6,9-12,15,17,32H,7-8,13-14,16H2,(H,28,29,31)/t27-/m1/s1 |
| InChIK | PSQQKQWXOINRRV-HHHXNRCGSA-N |
| TotalMolweight | 452.581 |
| Molweight | 452.581 |
| MonoisotopicMass | 452.167081 |
| CLogP | 7.024 |
| CLogS | -6.89 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 338.54 |
| Relative PSA | 0.23149 |
| PolarSurfaceArea | 98.64 |
| Druglikeness | -1.3645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1,2-diphenyl-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)cyclopent-2-en-1-ol | 2 - (4E)-1,2-diphenyl-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)cyclopent-2-en-1-ol
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