N-[(Z)-naphthalen-1-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C22H21N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C22H21N3O3S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C22H21N3O3S/c26-22(24-23-16-19-10-5-8-17-7-1-2-12-21(17)19)18-9-6-11-20(15-18)29(27,28)25-13-3-4-14-25/h1-2,5-12,15-16H,3-4,13-14H2,(H,24,26) |
| InChIK | SPLJKUCSIJMDSN-UHFFFAOYSA-N |
| TotalMolweight | 407.493 |
| Molweight | 407.493 |
| MonoisotopicMass | 407.130362 |
| CLogP | 4.2608 |
| CLogS | -5.152 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 302.01 |
| Relative PSA | 0.22562 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 0.52969 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off