N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide
Formula:C15H17N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C15H17N3O4S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(NCCN1CCOCC1)=O)c2)=O |
| InChI | InChI=1S/C15H17N3O4S/c19-15(16-3-4-17-5-7-22-8-6-17)14-10-11-9-12(18(20)21)1-2-13(11)23-14/h1-2,9-10H,3-8H2,(H,16,19) |
| InChIK | NBLMDAYLDWIYBG-UHFFFAOYSA-N |
| TotalMolweight | 335.383 |
| Molweight | 335.383 |
| MonoisotopicMass | 335.093977 |
| CLogP | -0.1597 |
| CLogS | -2.92 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 246.04 |
| Relative PSA | 0.36104 |
| PolarSurfaceArea | 115.63 |
| Druglikeness | 0.031724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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