4-N,5-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1H-imidazole-4,5-dicarboxamide

Formula:C27H30N8O2Cl4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-N,5-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1H-imidazole-4,5-dicarboxamide is not a drug-like molecule.

MolName	4-N,5-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1H-imidazole-4,5-dicarboxamide
MolecularFormula	C27H30N8O2Cl4
Smiles	O=C(c1c(C(N/N=C\c(cc2)ccc2N(CCCl)CCCl)=O)nc[nH]1)N/N=C\c(cc1)ccc1N(CCCl)CCCl
InChI	InChI=1S/C27H30Cl4N8O2/c28-9-13-38(14-10-29)22-5-1-20(2-6-22)17-34-36-26(40)24-25(33-19-32-24)27(41)37-35-18-21-3-7-23(8-4-21)39(15-11-30)16-12-31/h1-8,17-19H,9-16H2,(H,32,33)(H,36,40)(H,37,41)
InChIK	UMIDWMYUHGFDSL-UHFFFAOYSA-N
TotalMolweight	640.401
Molweight	640.401
MonoisotopicMass	638.12458
CLogP	5.347
CLogS	-7.565
H Acceptors	10
H Donors	3
TotalSurfaceArea	481.41
Relative PSA	0.2162
PolarSurfaceArea	118.08
Druglikeness	8.5098
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63415
Fragments	1
Non HAtoms	41
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	16
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	10
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 4-N,5-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1H-imidazole-4,5-dicarboxamide | 2 - 4-N,5-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1H-imidazole-4,5-dicarboxamide

Request More Details | 4-N,5-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1H-imidazole-4,5-dicarboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments