(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide
Formula:C28H25N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide |
| MolecularFormula | C28H25N5O4S |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(N2CCCC2)(=O)=O)c1 |
| InChI | InChI=1S/C28H25N5O4S/c29-18-22(28(34)30-19-25-11-7-15-37-25)16-23-20-33(24-9-2-1-3-10-24)31-27(23)21-8-6-12-26(17-21)38(35,36)32-13-4-5-14-32/h1-3,6-12,15-17,20H,4-5,13-14,19H2,(H,30,34) |
| InChIK | JSWFGFAPUNNLAG-UHFFFAOYSA-N |
| TotalMolweight | 527.604 |
| Molweight | 527.604 |
| MonoisotopicMass | 527.162725 |
| CLogP | 2.6702 |
| CLogS | -4.606 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 400 |
| Relative PSA | 0.25535 |
| PolarSurfaceArea | 129.61 |
| Druglikeness | -1.5442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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