1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C27H20N3O3F Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H20N3O3F
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCCc(cc1)ccc1F
InChI	InChI=1S/C27H20FN3O3/c28-18-8-5-16(6-9-18)11-12-29-27(32)22-14-20-19-3-1-2-4-21(19)30-26(20)25(31-22)17-7-10-23-24(13-17)34-15-33-23/h1-10,13-14,30H,11-12,15H2,(H,29,32)
InChIK	LZZNQCLDWOXQPA-UHFFFAOYSA-N
TotalMolweight	453.472
Molweight	453.472
MonoisotopicMass	453.14887
CLogP	5.3184
CLogS	-7.114
H Acceptors	6
H Donors	2
TotalSurfaceArea	333.65
Relative PSA	0.20818
PolarSurfaceArea	76.24
Druglikeness	-0.0025317
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Request More Details | 1-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments