N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C20H24N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H24N4O4S2 |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C20H24N4O4S2/c25-20(16-4-3-5-18(14-16)30(26,27)24-8-1-2-9-24)22-21-15-17-6-7-19(29-17)23-10-12-28-13-11-23/h3-7,14-15H,1-2,8-13H2,(H,22,25) |
| InChIK | QVHDQGYADUDMTN-UHFFFAOYSA-N |
| TotalMolweight | 448.567 |
| Molweight | 448.567 |
| MonoisotopicMass | 448.123896 |
| CLogP | 2.7916 |
| CLogS | -3.809 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 325.19 |
| Relative PSA | 0.31382 |
| PolarSurfaceArea | 127.93 |
| Druglikeness | 1.5242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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