1-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(4-phenoxyphenyl)thiourea

Formula:C25H21N4OClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(4-phenoxyphenyl)thiourea is not a drug-like molecule.

MolName	1-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(4-phenoxyphenyl)thiourea
MolecularFormula	C25H21N4OClS
Smiles	S=C(Nc(cc1)ccc1Oc1ccccc1)N/N=C\c1cccn1Cc(cc1)ccc1Cl
InChI	InChI=1S/C25H21ClN4OS/c26-20-10-8-19(9-11-20)18-30-16-4-5-22(30)17-27-29-25(32)28-21-12-14-24(15-13-21)31-23-6-2-1-3-7-23/h1-17H,18H2,(H2,28,29,32)
InChIK	BHNIZVWMWLWZQR-UHFFFAOYSA-N
TotalMolweight	460.988
Molweight	460.988
MonoisotopicMass	460.112458
CLogP	5.8606
CLogS	-6.855
H Acceptors	5
H Donors	2
TotalSurfaceArea	361.31
Relative PSA	0.21948
PolarSurfaceArea	82.67
Druglikeness	4.6053
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 1-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(4-phenoxyphenyl)thiourea | 2 - 1-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(4-phenoxyphenyl)thiourea

Request More Details | 1-[(Z)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(4-phenoxyphenyl)thiourea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments