2-[(Z)-C-(4-chlorophenyl)-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]benzoate
Formula:C25H21N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-C-(4-chlorophenyl)-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]benzoate is not a drug-like molecule.
| MolName | 2-[(Z)-C-(4-chlorophenyl)-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]benzoate |
| MolecularFormula | C25H21N3O5ClS |
| Smiles | [O-]C(c(cccc1)c1/C(/c(cc1)ccc1Cl)=N\NC(c1cc(S(N2CCCC2)(=O)=O)ccc1)=O)=O |
| InChI | InChI=1S/C25H22ClN3O5S/c26-19-12-10-17(11-13-19)23(21-8-1-2-9-22(21)25(31)32)27-28-24(30)18-6-5-7-20(16-18)35(33,34)29-14-3-4-15-29/h1-2,5-13,16H,3-4,14-15H2,(H,28,30)(H,31,32)/p-1 |
| InChIK | WAPVQBYZQQYRJC-UHFFFAOYSA-M |
| TotalMolweight | 510.977 |
| Molweight | 510.977 |
| MonoisotopicMass | 510.089044 |
| CLogP | 2.2782 |
| CLogS | -6.071 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 366.08 |
| Relative PSA | 0.26076 |
| PolarSurfaceArea | 127.35 |
| Druglikeness | 0.20316 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-C-(4-chlorophenyl)-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]benzoate | 2 - 2-[(Z)-C-(4-chlorophenyl)-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]benzoate
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