[(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-phenylcarbamate
Formula:C20H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C20H18N4O4S |
| Smiles | N/C(/c1cccc(CS(c2ncccc2)(=O)=O)c1)=N\OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C20H18N4O4S/c21-19(24-28-20(25)23-17-9-2-1-3-10-17)16-8-6-7-15(13-16)14-29(26,27)18-11-4-5-12-22-18/h1-13H,14H2,(H2,21,24)(H,23,25) |
| InChIK | BRAZBXPMAMJQGT-UHFFFAOYSA-N |
| TotalMolweight | 410.453 |
| Molweight | 410.453 |
| MonoisotopicMass | 410.104876 |
| CLogP | 2.6487 |
| CLogS | -5.018 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 304.58 |
| Relative PSA | 0.33105 |
| PolarSurfaceArea | 132.12 |
| Druglikeness | -9.6164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-phenylcarbamate | 2 - [(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-phenylcarbamate
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