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navarixin

navarixin

CAS: 473727-83-2

Formula: C21H23N3O5

SMILES: CC[C@@H](NC1=C(NC2=CC=CC(C(=O)N(C)C)=C2O)C(=O)C1=O)C1=CC=C(C)O1

IUPAC: 2-hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]benzamide

InChI: InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1

Composition: C (63.47%), H (5.83%), N (10.57%), O (20.13%)

Molar Mass: 397.431

Atom Count: 52

Heavy Atom Count: 29

Properties
Properties
Common Names navarixin
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 397.163770853
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey RXIUEIPPLAFSDF-CYBMUJFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.17
Topological Polar Surface Area 111.88
Polarizability 40.07
Ring Count 3
Rotatable Bond Count 7

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