1-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C23H20N3O2Br Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C23H20N3O2Br
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NC[C@H]1OCCC1
InChI	InChI=1S/C23H20BrN3O2/c24-15-6-3-5-14(11-15)21-22-18(17-8-1-2-9-19(17)26-22)12-20(27-21)23(28)25-13-16-7-4-10-29-16/h1-3,5-6,8-9,11-12,16,26H,4,7,10,13H2,(H,25,28)/t16-/m0/s1
InChIK	DHPYHGFDEFPFIZ-INIZCTEOSA-N
TotalMolweight	450.335
Molweight	450.335
MonoisotopicMass	449.073888
CLogP	4.283
CLogS	-6.173
H Acceptors	5
H Donors	2
TotalSurfaceArea	302.43
Relative PSA	0.19661
PolarSurfaceArea	67.01
Druglikeness	-1.4819
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - 1-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Request More Details | 1-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments