benzyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
Formula:C20H17N3S2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
benzyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate is a drug-like molecule.
| MolName | benzyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate |
| MolecularFormula | C20H17N3S2 |
| Smiles | S=C(N/N=C(/c1ccccc1)\c1ncccc1)SCc1ccccc1 |
| InChI | InChI=1S/C20H17N3S2/c24-20(25-15-16-9-3-1-4-10-16)23-22-19(17-11-5-2-6-12-17)18-13-7-8-14-21-18/h1-14H,15H2,(H,23,24) |
| InChIK | XVOHZRVAECQRQQ-UHFFFAOYSA-N |
| TotalMolweight | 363.508 |
| Molweight | 363.508 |
| MonoisotopicMass | 363.086387 |
| CLogP | 4.3616 |
| CLogS | -6.296 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 289.93 |
| Relative PSA | 0.27396 |
| PolarSurfaceArea | 94.67 |
| Druglikeness | 1.4196 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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