(2R)-4-(2,2-dimethoxyethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
Formula:C19H23N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2R)-4-(2,2-dimethoxyethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione is a drug-like molecule.
| MolName | (2R)-4-(2,2-dimethoxyethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione |
| MolecularFormula | C19H23N3O4 |
| Smiles | C[C@@](c1c(CC2)c(cccc3)c3[nH]1)(C(N(CC(OC)OC)C1)=O)N2C1=O |
| InChI | InChI=1S/C19H23N3O4/c1-19-17-13(12-6-4-5-7-14(12)20-17)8-9-22(19)15(23)10-21(18(19)24)11-16(25-2)26-3/h4-7,16,20H,8-11H2,1-3H3/t19-/m1/s1 |
| InChIK | BAXANVBZWHLBDL-LJQANCHMSA-N |
| TotalMolweight | 357.409 |
| Molweight | 357.409 |
| MonoisotopicMass | 357.168857 |
| CLogP | 0.6863 |
| CLogS | -1.609 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 261.26 |
| Relative PSA | 0.2571 |
| PolarSurfaceArea | 74.87 |
| Druglikeness | -1.7261 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2R)-4-(2,2-dimethoxyethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione | 2 - (2R)-4-(2,2-dimethoxyethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
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