(5Z)-5-[(4-bromophenyl)methylidene]-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-4-one
Formula:C20H17N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-bromophenyl)methylidene]-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-4-one |
| MolecularFormula | C20H17N2OBrS |
| Smiles | O=C1N=C(N(CC2)CC2c2ccccc2)S/C1=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C20H17BrN2OS/c21-17-8-6-14(7-9-17)12-18-19(24)22-20(25-18)23-11-10-16(13-23)15-4-2-1-3-5-15/h1-9,12,16H,10-11,13H2/t16-/m1/s1 |
| InChIK | GVAAQBMVBDQQQO-MRXNPFEDSA-N |
| TotalMolweight | 413.338 |
| Molweight | 413.338 |
| MonoisotopicMass | 412.024494 |
| CLogP | 4.8766 |
| CLogS | -5.596 |
| H Acceptors | 3 |
| TotalSurfaceArea | 271.65 |
| Relative PSA | 0.16783 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.4173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[(4-bromophenyl)methylidene]-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-4-one | 2 - (5Z)-5-[(4-bromophenyl)methylidene]-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-4-one
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