[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C19H24N2O8S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C19H24N2O8S2 |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)NC(CC1)CS1(=O)=O |
| InChI | InChI=1S/C19H24N2O8S2/c22-18(20-16-7-12-30(24,25)14-16)13-29-19(23)6-3-15-1-4-17(5-2-15)31(26,27)21-8-10-28-11-9-21/h1-6,16H,7-14H2,(H,20,22)/t16-/m1/s1 |
| InChIK | NCTKTWZMWQYPND-MRXNPFEDSA-N |
| TotalMolweight | 472.538 |
| Molweight | 472.538 |
| MonoisotopicMass | 472.097408 |
| CLogP | -0.608 |
| CLogS | -1.644 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 329.76 |
| Relative PSA | 0.35859 |
| PolarSurfaceArea | 152.91 |
| Druglikeness | 0.24082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
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