N-[(E)-2,3-dihydroinden-1-ylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C20H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2,3-dihydroinden-1-ylideneamino]-3-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(E)-2,3-dihydroinden-1-ylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C20H21N3O4S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C(\CC1)/c2c1cccc2 |
| InChI | InChI=1S/C20H21N3O4S/c24-20(22-21-19-9-8-15-4-1-2-7-18(15)19)16-5-3-6-17(14-16)28(25,26)23-10-12-27-13-11-23/h1-7,14H,8-13H2,(H,22,24) |
| InChIK | NIDVKDQFSGYNCC-UHFFFAOYSA-N |
| TotalMolweight | 399.47 |
| Molweight | 399.47 |
| MonoisotopicMass | 399.125277 |
| CLogP | 2.5751 |
| CLogS | -3.606 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289.64 |
| Relative PSA | 0.26978 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -1.4504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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