N-benzyl-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide
Formula:C27H22N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-benzyl-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | N-benzyl-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C27H22N4O5 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)c1)NCc1ccccc1 |
| InChI | InChI=1S/C27H22N4O5/c32-24(28-14-18-7-2-1-3-8-18)17-30-15-19(21-10-4-5-11-23(21)30)13-22-25(33)29-27(35)31(26(22)34)16-20-9-6-12-36-20/h1-13,15H,14,16-17H2,(H,28,32)(H,29,33,35) |
| InChIK | FNJDSHSMXARDJI-UHFFFAOYSA-N |
| TotalMolweight | 482.495 |
| Molweight | 482.495 |
| MonoisotopicMass | 482.159021 |
| CLogP | 1.7907 |
| CLogS | -4.03 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 362.98 |
| Relative PSA | 0.27442 |
| PolarSurfaceArea | 113.65 |
| Druglikeness | 5.9618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-benzyl-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide | 2 - N-benzyl-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide
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