5-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-13-(furan-2-yl)-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
Formula:C27H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-13-(furan-2-yl)-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one is not a drug-like molecule.
| MolName | 5-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-13-(furan-2-yl)-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one |
| MolecularFormula | C27H16N4O5 |
| Smiles | O=C(c(oc1c2c(-c3ccco3)cc(-c3ccccc3)n1)c2N=C1)N1/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C27H16N4O5/c32-27-25-24(28-14-31(27)29-13-16-8-9-21-22(11-16)35-15-34-21)23-18(20-7-4-10-33-20)12-19(30-26(23)36-25)17-5-2-1-3-6-17/h1-14H,15H2 |
| InChIK | YPSUQOJJAFJSQP-UHFFFAOYSA-N |
| TotalMolweight | 476.447 |
| Molweight | 476.447 |
| MonoisotopicMass | 476.112071 |
| CLogP | 5.0061 |
| CLogS | -8.957 |
| H Acceptors | 9 |
| TotalSurfaceArea | 349.61 |
| Relative PSA | 0.2826 |
| PolarSurfaceArea | 102.66 |
| Druglikeness | 4.3335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-13-(furan-2-yl)-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one | 2 - 5-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-13-(furan-2-yl)-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
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