N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C29H27N5O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C29H27N5O6S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C29H27N5O6S/c35-29(22-5-4-8-25(17-22)41(36,37)33-11-13-38-14-12-33)31-30-19-23-20-34(24-6-2-1-3-7-24)32-28(23)21-9-10-26-27(18-21)40-16-15-39-26/h1-10,17-20H,11-16H2,(H,31,35) |
| InChIK | XRKOPZPTKMMMEH-UHFFFAOYSA-N |
| TotalMolweight | 573.628 |
| Molweight | 573.628 |
| MonoisotopicMass | 573.168205 |
| CLogP | 3.1422 |
| CLogS | -4.622 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 418.91 |
| Relative PSA | 0.27686 |
| PolarSurfaceArea | 132.73 |
| Druglikeness | -5.1273 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4878 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 10 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide | 2 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
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