N-[(3,4-dichlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C27H21N3OCl2 Mutagenic:low Tumorigenic:none Reproductive Effective:none N-[(3,4-dichlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-[(3,4-dichlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H21N3OCl2
Smiles	O=C(c1nc(CCc2ccccc2)c2[nH]c(cccc3)c3c2c1)NCc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C27H21Cl2N3O/c28-21-12-10-18(14-22(21)29)16-30-27(33)25-15-20-19-8-4-5-9-23(19)32-26(20)24(31-25)13-11-17-6-2-1-3-7-17/h1-10,12,14-15,32H,11,13,16H2,(H,30,33)
InChIK	RNTPQFZEKJKNLJ-UHFFFAOYSA-N
TotalMolweight	474.39
Molweight	474.39
MonoisotopicMass	473.106166
CLogP	6.3933
CLogS	-7.333
H Acceptors	4
H Donors	2
TotalSurfaceArea	351.64
Relative PSA	0.14066
PolarSurfaceArea	57.78
Druglikeness	0.20072
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[(3,4-dichlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - N-[(3,4-dichlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Request More Details | N-[(3,4-dichlorophenyl)methyl]-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments