gepotidacin

gepotidacin

CAS: 1075236-89-3

Formula: C24H28N6O3

SMILES: O=C1C=CC2=C3N1C[C@@H](CN1CCC(CC1)NCC1=CC4=C(OCCC4)C=N1)N3C(=O)C=N2

IUPAC: (3R)-3-({4-[({2H,3H,4H-pyrano[2,3-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}methyl)-1,4,7-triazatricyclo[6.3.1.0⁴,¹²]dodeca-6,8(12),9-triene-5,11-dione

InChI: InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1

Composition: C (64.27%), H (6.29%), N (18.74%), O (10.70%)

Molar Mass: 448.527

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	gepotidacin
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	448.222288786
Formal Charge	0
FSP3	0.5
Hetero Ring Count	6
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	PZFAZQUREQIODZ-LJQANCHMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	133.84
Topological Polar Surface Area	90.37
Polarizability	47.11
Ring Count	6
Rotatable Bond Count	5

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