N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Formula:C20H21N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H21N4O4ClS |
| Smiles | O=C(CNC(c(cc1)ccc1S(N1CCCC1)(=O)=O)=O)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C20H21ClN4O4S/c21-18-6-2-1-5-16(18)13-23-24-19(26)14-22-20(27)15-7-9-17(10-8-15)30(28,29)25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12,14H2,(H,22,27)(H,24,26) |
| InChIK | KRJBUTNEBSOVTL-UHFFFAOYSA-N |
| TotalMolweight | 448.93 |
| Molweight | 448.93 |
| MonoisotopicMass | 448.097203 |
| CLogP | 2.7561 |
| CLogS | -4.049 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 325.8 |
| Relative PSA | 0.28435 |
| PolarSurfaceArea | 116.32 |
| Druglikeness | 7.2389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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