10-[[(E)-3-benzyliminoprop-1-enyl]amino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Formula:C24H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
10-[[(E)-3-benzyliminoprop-1-enyl]amino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one is a drug-like molecule.
| MolName | 10-[[(E)-3-benzyliminoprop-1-enyl]amino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one |
| MolecularFormula | C24H17N3O2 |
| Smiles | O=C(c(cccc1)c1-c1c2c(cc3)no1)c2c3N/C=C/C=N/Cc1ccccc1 |
| InChI | InChI=1S/C24H17N3O2/c28-23-17-9-4-5-10-18(17)24-22-20(27-29-24)12-11-19(21(22)23)26-14-6-13-25-15-16-7-2-1-3-8-16/h1-14,26H,15H2 |
| InChIK | UYZFPKFEKNDGBP-UHFFFAOYSA-N |
| TotalMolweight | 379.418 |
| Molweight | 379.418 |
| MonoisotopicMass | 379.132077 |
| CLogP | 3.6609 |
| CLogS | -6.947 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.56 |
| Relative PSA | 0.206 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 3.702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 10-[[(E)-3-benzyliminoprop-1-enyl]amino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one | 2 - 10-[[(E)-3-benzyliminoprop-1-enyl]amino]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
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