(Z)-1-(2-chlorophenyl)-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:C20H18N5OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(2-chlorophenyl)-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-(2-chlorophenyl)-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 | C20H18N5OClS |
| Smiles | Clc1c(/C=N\OCc2nn(cnc3c4c(CCCCC5)c5s3)c4n2)cccc1 |
| InChI | InChI=1S/C20H18ClN5OS/c21-15-8-5-4-6-13(15)10-23-27-11-17-24-19-18-14-7-2-1-3-9-16(14)28-20(18)22-12-26(19)25-17/h4-6,8,10,12H,1-3,7,9,11H2 |
| InChIK | QUSHASXLMGDZAG-UHFFFAOYSA-N |
| TotalMolweight | 411.916 |
| Molweight | 411.916 |
| MonoisotopicMass | 411.092057 |
| CLogP | 4.7266 |
| CLogS | -7.299 |
| H Acceptors | 6 |
| TotalSurfaceArea | 304.33 |
| Relative PSA | 0.27184 |
| PolarSurfaceArea | 92.91 |
| Druglikeness | 0.25333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-chlorophenyl)-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-(2-chlorophenyl)-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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