[(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C18H13N5O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C18H13N5O2Cl2S |
| Smiles | N/C(/c1nccnc1Sc(cc1)ccc1Cl)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C18H13Cl2N5O2S/c19-11-1-5-13(6-2-11)24-18(26)27-25-16(21)15-17(23-10-9-22-15)28-14-7-3-12(20)4-8-14/h1-10H,(H2,21,25)(H,24,26) |
| InChIK | AOCIQZOQXDBOOR-UHFFFAOYSA-N |
| TotalMolweight | 434.306 |
| Molweight | 434.306 |
| MonoisotopicMass | 433.016699 |
| CLogP | 4.2487 |
| CLogS | -5.507 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 309.33 |
| Relative PSA | 0.32557 |
| PolarSurfaceArea | 127.79 |
| Druglikeness | -5.2475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
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