2-morpholin-4-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
Formula:C13H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide is a drug-like molecule.
| MolName | 2-morpholin-4-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide |
| MolecularFormula | C13H14N4O4S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(NC(CN1CCOCC1)=O)n2)=O |
| InChI | InChI=1S/C13H14N4O4S/c18-12(8-16-3-5-21-6-4-16)15-13-14-10-7-9(17(19)20)1-2-11(10)22-13/h1-2,7H,3-6,8H2,(H,14,15,18) |
| InChIK | BMVJTVGRVOEJIS-UHFFFAOYSA-N |
| TotalMolweight | 322.344 |
| Molweight | 322.344 |
| MonoisotopicMass | 322.073576 |
| CLogP | -0.4199 |
| CLogS | -2.575 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 231.04 |
| Relative PSA | 0.43196 |
| PolarSurfaceArea | 128.52 |
| Druglikeness | -1.7987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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