(Z)-1-phenyl-N-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethoxy)methanimine
Formula:C20H19N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-phenyl-N-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethoxy)methanimine is a drug-like molecule.
| MolName | (Z)-1-phenyl-N-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethoxy)methanimine |
| MolecularFormula | C20H19N5OS |
| Smiles | C(c1nn(cnc2c3c(CCCCC4)c4s2)c3n1)O/N=C\c1ccccc1 |
| InChI | InChI=1S/C20H19N5OS/c1-3-7-14(8-4-1)11-22-26-12-17-23-19-18-15-9-5-2-6-10-16(15)27-20(18)21-13-25(19)24-17/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2 |
| InChIK | ZWNIUWLEEUJKER-UHFFFAOYSA-N |
| TotalMolweight | 377.471 |
| Molweight | 377.471 |
| MonoisotopicMass | 377.13103 |
| CLogP | 4.1206 |
| CLogS | -6.563 |
| H Acceptors | 6 |
| TotalSurfaceArea | 288.91 |
| Relative PSA | 0.28635 |
| PolarSurfaceArea | 92.91 |
| Druglikeness | 0.21681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-phenyl-N-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethoxy)methanimine | 2 - (Z)-1-phenyl-N-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethoxy)methanimine
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