5-benzylsulfanyl-4-[(4-bromophenyl)methyl]-1,2,4-triazol-3-amine
Formula:C16H15N4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-benzylsulfanyl-4-[(4-bromophenyl)methyl]-1,2,4-triazol-3-amine is a drug-like molecule.
| MolName | 5-benzylsulfanyl-4-[(4-bromophenyl)methyl]-1,2,4-triazol-3-amine |
| MolecularFormula | C16H15N4BrS |
| Smiles | Nc(n1Cc(cc2)ccc2Br)nnc1SCc1ccccc1 |
| InChI | InChI=1S/C16H15BrN4S/c17-14-8-6-12(7-9-14)10-21-15(18)19-20-16(21)22-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,18,19) |
| InChIK | ZPLPGWAIISOWML-UHFFFAOYSA-N |
| TotalMolweight | 375.293 |
| Molweight | 375.293 |
| MonoisotopicMass | 374.020077 |
| CLogP | 3.5407 |
| CLogS | -4.398 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.66 |
| Relative PSA | 0.24466 |
| PolarSurfaceArea | 82.03 |
| Druglikeness | 1.3807 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-benzylsulfanyl-4-[(4-bromophenyl)methyl]-1,2,4-triazol-3-amine | 2 - 5-benzylsulfanyl-4-[(4-bromophenyl)methyl]-1,2,4-triazol-3-amine
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