N-(2-methoxyethyl)-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:C14H15N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-methoxyethyl)-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-(2-methoxyethyl)-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 | C14H15N5O2S |
| Smiles | COCCNC(c1nn(cnc2c3c(CCC4)c4s2)c3n1)=O |
| InChI | InChI=1S/C14H15N5O2S/c1-21-6-5-15-13(20)11-17-12-10-8-3-2-4-9(8)22-14(10)16-7-19(12)18-11/h7H,2-6H2,1H3,(H,15,20) |
| InChIK | DWWYKTBXRWDHEO-UHFFFAOYSA-N |
| TotalMolweight | 317.372 |
| Molweight | 317.372 |
| MonoisotopicMass | 317.094645 |
| CLogP | 0.6068 |
| CLogS | -3.923 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 232.1 |
| Relative PSA | 0.41241 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 2.7317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(2-methoxyethyl)-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-(2-methoxyethyl)-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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