[(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(2-chloropyridin-3-yl)carbamate
Formula:C19H16N5O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(2-chloropyridin-3-yl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(2-chloropyridin-3-yl)carbamate |
| MolecularFormula | C19H16N5O4ClS |
| Smiles | N/C(/c1cc(CS(c2ncccc2)(=O)=O)ccc1)=N/OC(Nc1cccnc1Cl)=O |
| InChI | InChI=1S/C19H16ClN5O4S/c20-17-15(7-4-10-23-17)24-19(26)29-25-18(21)14-6-3-5-13(11-14)12-30(27,28)16-8-1-2-9-22-16/h1-11H,12H2,(H2,21,25)(H,24,26) |
| InChIK | DYXZKPVEWHEAPR-UHFFFAOYSA-N |
| TotalMolweight | 445.886 |
| Molweight | 445.886 |
| MonoisotopicMass | 445.061152 |
| CLogP | 2.3512 |
| CLogS | -4.722 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 318.76 |
| Relative PSA | 0.35073 |
| PolarSurfaceArea | 145.01 |
| Druglikeness | -8.1844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(2-chloropyridin-3-yl)carbamate | 2 - [(E)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(2-chloropyridin-3-yl)carbamate
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