[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]thiourea
Formula:C14H17N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]thiourea |
| MolecularFormula | C14H17N4O3BrS |
| Smiles | NC(N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O)=S |
| InChI | InChI=1S/C14H17BrN4O3S/c15-11-7-10(8-17-18-14(16)23)1-2-12(11)22-9-13(20)19-3-5-21-6-4-19/h1-2,7-8H,3-6,9H2,(H3,16,18,23) |
| InChIK | DCGGZZWWNZLIRJ-UHFFFAOYSA-N |
| TotalMolweight | 401.284 |
| Molweight | 401.284 |
| MonoisotopicMass | 400.020472 |
| CLogP | 1.5064 |
| CLogS | -3.222 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 272.69 |
| Relative PSA | 0.37709 |
| PolarSurfaceArea | 121.27 |
| Druglikeness | 3.0922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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