[(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C20H17N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C20H17N4O4ClS |
| Smiles | N/C(/c1cc(CS(c2ncccc2)(=O)=O)ccc1)=N\OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H17ClN4O4S/c21-16-7-9-17(10-8-16)24-20(26)29-25-19(22)15-5-3-4-14(12-15)13-30(27,28)18-6-1-2-11-23-18/h1-12H,13H2,(H2,22,25)(H,24,26) |
| InChIK | XWDQIQBJPXIVOD-UHFFFAOYSA-N |
| TotalMolweight | 444.898 |
| Molweight | 444.898 |
| MonoisotopicMass | 444.065903 |
| CLogP | 3.2547 |
| CLogS | -5.754 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 320 |
| Relative PSA | 0.31509 |
| PolarSurfaceArea | 132.12 |
| Druglikeness | -6.9078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 |
Click to Load Molecule:
1 - [(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(Z)-[amino-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off