N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]prop-1-enyl]benzenesulfonamide
Formula:C27H31N5O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]prop-1-enyl]benzenesulfonamide is not a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]prop-1-enyl]benzenesulfonamide |
| MolecularFormula | C27H31N5O5S |
| Smiles | O=C(CCN(CC1)CCN1c1ccccc1)NNC(/C=C/c(cc1)ccc1S(NCc1ccco1)(=O)=O)=O |
| InChI | InChI=1S/C27H31N5O5S/c33-26(13-10-22-8-11-25(12-9-22)38(35,36)28-21-24-7-4-20-37-24)29-30-27(34)14-15-31-16-18-32(19-17-31)23-5-2-1-3-6-23/h1-13,20,28H,14-19,21H2,(H,29,33)(H,30,34) |
| InChIK | LWFCWYDMRBVKGH-UHFFFAOYSA-N |
| TotalMolweight | 537.639 |
| Molweight | 537.639 |
| MonoisotopicMass | 537.20459 |
| CLogP | 1.5567 |
| CLogS | -3.875 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 410.85 |
| Relative PSA | 0.26835 |
| PolarSurfaceArea | 132.37 |
| Druglikeness | 9.6742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]prop-1-enyl]benzenesulfonamide | 2 - N-(furan-2-ylmethyl)-4-[(E)-3-oxo-3-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]prop-1-enyl]benzenesulfonamide
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