[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C21H28N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C21H28N2O6S |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)NC1CCCCC1 |
| InChI | InChI=1S/C21H28N2O6S/c24-20(22-18-4-2-1-3-5-18)16-29-21(25)11-8-17-6-9-19(10-7-17)30(26,27)23-12-14-28-15-13-23/h6-11,18H,1-5,12-16H2,(H,22,24) |
| InChIK | QTPNVWUOYOBFAF-UHFFFAOYSA-N |
| TotalMolweight | 436.527 |
| Molweight | 436.527 |
| MonoisotopicMass | 436.166808 |
| CLogP | 1.584 |
| CLogS | -2.674 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 328.7 |
| Relative PSA | 0.2728 |
| PolarSurfaceArea | 110.39 |
| Druglikeness | -1.9939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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1 - [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate | 2 - [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
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