2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C18H16N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C18H16N6O4S |
| Smiles | Nc1nnc(CC(N/N=C\c(cc2)ccc2OCc(cc2)ccc2[N+]([O-])=O)=O)s1 |
| InChI | InChI=1S/C18H16N6O4S/c19-18-23-22-17(29-18)9-16(25)21-20-10-12-3-7-15(8-4-12)28-11-13-1-5-14(6-2-13)24(26)27/h1-8,10H,9,11H2,(H2,19,23)(H,21,25) |
| InChIK | VXCSYLGPKHSHSH-UHFFFAOYSA-N |
| TotalMolweight | 412.429 |
| Molweight | 412.429 |
| MonoisotopicMass | 412.095374 |
| CLogP | 1.7919 |
| CLogS | -4.77 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 309.92 |
| Relative PSA | 0.43237 |
| PolarSurfaceArea | 176.55 |
| Druglikeness | 0.45152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
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