C37H48N6OCl4 | Cheminformatics
Menu

1-[(Z)-[(E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]-3-[(E)-[(E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea

Formula:C37H48N6OCl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(Z)-[(E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]-3-[(E)-[(E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea is not a drug-like molecule.
MolName1-[(Z)-[(E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]-3-[(E)-[(E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea
MolecularFormulaC37H48N6OCl4
SmilesCC(C)(CN1CCCCC1)/C(/C=C/c(cc1)cc(Cl)c1Cl)=N\NC(N/N=C(/C(C)(C)CN1CCCCC1)\C=C\c(cc1)cc(Cl)c1Cl)=O
InChIInChI=1S/C37H48Cl4N6O/c1-36(2,25-46-19-7-5-8-20-46)33(17-13-27-11-15-29(38)31(40)23-27)42-44-35(48)45-43-34(18-14-28-12-16-30(39)32(41)24-28)37(3,4)26-47-21-9-6-10-22-47/h11-18,23-24H,5-10,19-22,25-26H2,1-4H3,(H2,44,45,48)
InChIKAOKCOMHWNQKAIN-UHFFFAOYSA-N
TotalMolweight734.641
Molweight734.641
MonoisotopicMass732.264367
CLogP10.461
CLogS-10.158
H Acceptors7
H Donors2
TotalSurfaceArea562.89
Relative PSA0.11739
PolarSurfaceArea72.33
Druglikeness2.4071
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.4375
Fragments1
Non HAtoms48
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond12
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms20
Symmetricatoms6
Amines2
AlkylAmines2
BasicNitrogens2
StereoCon

Request More Details | 1-[(Z)-[(E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]-3-[(E)-[(E)-1-(3,4-dichlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea


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