| MolName | 1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-phenylthiourea |
| MolecularFormula | C26H20N6OS2 |
| Smiles | Nc1c(C(NNC(Nc2ccccc2)=S)=O)sc2c1c(-c1ccccc1)c(-c1ccccc1)nn2 |
| InChI | InChI=1S/C26H20N6OS2/c27-21-20-19(16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)29-31-25(20)35-23(21)24(33)30-32-26(34)28-18-14-8-3-9-15-18/h1-15H,27H2,(H,30,33)(H2,28,32,34) |
| InChIK | JIUWSVBWDIEVMP-UHFFFAOYSA-N |
| TotalMolweight | 496.618 |
| Molweight | 496.618 |
| MonoisotopicMass | 496.113999 |
| CLogP | 4.0281 |
| CLogS | -8.68 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 373.96 |
| Relative PSA | 0.35563 |
| PolarSurfaceArea | 165.29 |
| Druglikeness | 3.4062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-phenylthiourea | 2 - 1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-phenylthiourea