[(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-phenylcarbamate
Formula:C18H14N5O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C18H14N5O2ClS |
| Smiles | N/C(/c1nccnc1Sc(cc1)ccc1Cl)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C18H14ClN5O2S/c19-12-6-8-14(9-7-12)27-17-15(21-10-11-22-17)16(20)24-26-18(25)23-13-4-2-1-3-5-13/h1-11H,(H2,20,24)(H,23,25) |
| InChIK | AYHUNGWZUWDHSK-UHFFFAOYSA-N |
| TotalMolweight | 399.861 |
| Molweight | 399.861 |
| MonoisotopicMass | 399.055672 |
| CLogP | 3.6427 |
| CLogS | -4.771 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 293.91 |
| Relative PSA | 0.34266 |
| PolarSurfaceArea | 127.79 |
| Druglikeness | -5.2475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-phenylcarbamate | 2 - [(E)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] N-phenylcarbamate
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