(Z)-1-phenyl-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine
Formula:C19H17N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-phenyl-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine is a drug-like molecule.
| MolName | (Z)-1-phenyl-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine |
| MolecularFormula | C19H17N5OS |
| Smiles | C(c1nn(cnc2c3c(CCCC4)c4s2)c3n1)O/N=C\c1ccccc1 |
| InChI | InChI=1S/C19H17N5OS/c1-2-6-13(7-3-1)10-21-25-11-16-22-18-17-14-8-4-5-9-15(14)26-19(17)20-12-24(18)23-16/h1-3,6-7,10,12H,4-5,8-9,11H2 |
| InChIK | SWATWNGCHDFLQY-UHFFFAOYSA-N |
| TotalMolweight | 363.444 |
| Molweight | 363.444 |
| MonoisotopicMass | 363.11538 |
| CLogP | 3.7786 |
| CLogS | -6.293 |
| H Acceptors | 6 |
| TotalSurfaceArea | 275.15 |
| Relative PSA | 0.30067 |
| PolarSurfaceArea | 92.91 |
| Druglikeness | 0.21681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-phenyl-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine | 2 - (Z)-1-phenyl-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine
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