benzyl 3-(4-chloro-2-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

benzyl 3-(4-chloro-2-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

CAS: 1330750-59-8

Formula: C21H20ClFN2O4

SMILES: FC1=C(C=CC(Cl)=C1)N1CC2(CCN(CC2)C(=O)OCC2=CC=CC=C2)OC1=O

IUPAC: benzyl 3-(4-chloro-2-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

InChI: InChI=1S/C21H20ClFN2O4/c22-16-6-7-18(17(23)12-16)25-14-21(29-20(25)27)8-10-24(11-9-21)19(26)28-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2

Composition: C (60.22%), H (4.81%), Cl (8.46%), F (4.54%), N (6.69%), O (15.28%)

Molar Mass: 418.85

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	418.109563
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ASMZRSOXDAQXQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.56
Topological Polar Surface Area	59.08
Polarizability	40.46
Ring Count	4
Rotatable Bond Count	4

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