[(E)-[amino-[3-(thiophen-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C19H16N3O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-(thiophen-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(thiophen-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C19H16N3O4ClS2 |
| Smiles | N/C(/c1cc(CS(c2cccs2)(=O)=O)ccc1)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H16ClN3O4S2/c20-15-6-8-16(9-7-15)22-19(24)27-23-18(21)14-4-1-3-13(11-14)12-29(25,26)17-5-2-10-28-17/h1-11H,12H2,(H2,21,23)(H,22,24) |
| InChIK | WTKGAYSAPZZZHF-UHFFFAOYSA-N |
| TotalMolweight | 449.938 |
| Molweight | 449.938 |
| MonoisotopicMass | 449.027074 |
| CLogP | 4.1473 |
| CLogS | -6.703 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 317.18 |
| Relative PSA | 0.3475 |
| PolarSurfaceArea | 147.47 |
| Druglikeness | -6.3227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-[3-(thiophen-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[3-(thiophen-2-ylsulfonylmethyl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
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