(2S)-7-fluoro-2-methyl-6-{[2-(methylamino)ethyl]amino}-10-oxo-4-oxa-1-azatricyclo[7.3.1.0?,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid hydrochloride

(2S)-7-fluoro-2-methyl-6-{[2-(methylamino)ethyl]amino}-10-oxo-4-oxa-1-azatricyclo[7.3.1.0?,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid hydrochloride

CAS: 1346603-62-0

Formula: C16H19ClFN3O4

SMILES: Cl.CNCCNC1=C(F)C=C2C(=O)C(=CN3[C@@H](C)COC1=C23)C(O)=O

IUPAC: (2S)-7-fluoro-2-methyl-6-{[2-(methylamino)ethyl]amino}-10-oxo-4-oxa-1-azatricyclo[7.3.1.0?,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid hydrochloride

InChI: InChI=1S/C16H18FN3O4.ClH/c1-8-7-24-15-12(19-4-3-18-2)11(17)5-9-13(15)20(8)6-10(14(9)21)16(22)23;/h5-6,8,18-19H,3-4,7H2,1-2H3,(H,22,23);1H/t8-;/m0./s1

Composition: C (51.69%), H (5.15%), Cl (9.53%), F (5.11%), N (11.30%), O (17.21%)

Molar Mass: 371.79

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	371.104812
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	XCUXHIUSNKPZPM-QRPNPIFTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.38
Topological Polar Surface Area	90.9
Polarizability	31.88
Ring Count	3
Rotatable Bond Count	5

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