N-[(E)-2,3-dihydroinden-1-ylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C20H21N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2,3-dihydroinden-1-ylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(E)-2,3-dihydroinden-1-ylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H21N3O3S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C(\CC1)/c2c1cccc2 |
| InChI | InChI=1S/C20H21N3O3S/c24-20(22-21-19-11-10-15-6-1-2-9-18(15)19)16-7-5-8-17(14-16)27(25,26)23-12-3-4-13-23/h1-2,5-9,14H,3-4,10-13H2,(H,22,24) |
| InChIK | YBPKOQVJXOCUSF-UHFFFAOYSA-N |
| TotalMolweight | 383.471 |
| Molweight | 383.471 |
| MonoisotopicMass | 383.130362 |
| CLogP | 3.3971 |
| CLogS | -4.225 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.64 |
| Relative PSA | 0.24367 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 0.15552 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-2,3-dihydroinden-1-ylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide | 2 - N-[(E)-2,3-dihydroinden-1-ylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
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