(4-cyanophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
Formula:C23H24N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-cyanophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (4-cyanophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate |
| MolecularFormula | C23H24N2O4S |
| Smiles | N#Cc1ccc(COC(/C=C/c(cc2)ccc2S(N2CCCCCC2)(=O)=O)=O)cc1 |
| InChI | InChI=1S/C23H24N2O4S/c24-17-20-5-7-21(8-6-20)18-29-23(26)14-11-19-9-12-22(13-10-19)30(27,28)25-15-3-1-2-4-16-25/h5-14H,1-4,15-16,18H2 |
| InChIK | ZLOTZECDBOPTFP-UHFFFAOYSA-N |
| TotalMolweight | 424.52 |
| Molweight | 424.52 |
| MonoisotopicMass | 424.145678 |
| CLogP | 3.7043 |
| CLogS | -4.588 |
| H Acceptors | 6 |
| TotalSurfaceArea | 330.68 |
| Relative PSA | 0.20784 |
| PolarSurfaceArea | 95.85 |
| Druglikeness | -15.195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4-cyanophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate | 2 - (4-cyanophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off