1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-phenylthiourea

Formula:C26H20N6OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-phenylthiourea is a drug-like molecule.

MolName1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-phenylthiourea
MolecularFormulaC26H20N6OS2
SmilesNc1c(C(NNC(Nc2ccccc2)=S)=O)sc2c1c(-c1ccccc1)c(-c1ccccc1)nn2
InChIInChI=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)
InChIKJIUWSVBWDIEVMP-UHFFFAOYSA-N
TotalMolweight496.618
Molweight496.618
MonoisotopicMass496.113999
CLogP4.0281
CLogS-8.68
H Acceptors7
H Donors4
TotalSurfaceArea373.96
Relative PSA0.35563
PolarSurfaceArea165.29
Druglikeness3.4062
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms2
Symmetricatoms6
Amines1
Aromatic Amines1
Aromatic Nitrogens2
StereoCon

Request More Details | 1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-phenylthiourea


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments