N-benzyl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene-4-carboxamide
Formula:C18H15N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene-4-carboxamide is a drug-like molecule.
| MolName | N-benzyl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene-4-carboxamide |
| MolecularFormula | C18H15N5OS |
| Smiles | O=C(c1nn(cnc2c3c(CCC4)c4s2)c3n1)NCc1ccccc1 |
| InChI | InChI=1S/C18H15N5OS/c24-17(19-9-11-5-2-1-3-6-11)15-21-16-14-12-7-4-8-13(12)25-18(14)20-10-23(16)22-15/h1-3,5-6,10H,4,7-9H2,(H,19,24) |
| InChIK | JOZDDUIRKBYQSK-UHFFFAOYSA-N |
| TotalMolweight | 349.417 |
| Molweight | 349.417 |
| MonoisotopicMass | 349.09973 |
| CLogP | 2.1174 |
| CLogS | -5.325 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.84 |
| Relative PSA | 0.33505 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 4.0059 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-benzyl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene-4-carboxamide | 2 - N-benzyl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene-4-carboxamide
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