4-nitro-N'-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide
Formula:C15H11N5O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N'-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide is a drug-like molecule.
| MolName | 4-nitro-N'-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide |
| MolecularFormula | C15H11N5O4S2 |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(CSc1c(ccs2)c2ncn1)=O)=O)=O |
| InChI | InChI=1S/C15H11N5O4S2/c21-12(7-26-15-11-5-6-25-14(11)16-8-17-15)18-19-13(22)9-1-3-10(4-2-9)20(23)24/h1-6,8H,7H2,(H,18,21)(H,19,22) |
| InChIK | MZIIWRIEILIRTI-UHFFFAOYSA-N |
| TotalMolweight | 389.415 |
| Molweight | 389.415 |
| MonoisotopicMass | 389.025245 |
| CLogP | 0.4784 |
| CLogS | -5.037 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 274.42 |
| Relative PSA | 0.50729 |
| PolarSurfaceArea | 183.34 |
| Druglikeness | -2.7736 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-nitro-N'-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide | 2 - 4-nitro-N'-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off