2-amino-8-phenyl-7,9-dioxa-1-thia-3-azaspiro[4.5]dec-2-en-4-one

2-amino-8-phenyl-7,9-dioxa-1-thia-3-azaspiro[4.5]dec-2-en-4-one

CAS: 436088-64-1

Formula: C12H12N2O3S

SMILES: NC1=NC(=O)C2(COC(OC2)C2=CC=CC=C2)S1

IUPAC: 2-amino-8-phenyl-7,9-dioxa-1-thia-3-azaspiro[4.5]dec-2-en-4-one

InChI: InChI=1S/C12H12N2O3S/c13-11-14-10(15)12(18-11)6-16-9(17-7-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,14,15)

Composition: C (54.53%), H (4.58%), N (10.60%), O (18.16%), S (12.13%)

Molar Mass: 264.3

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.056863428
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CPAJIRANTJPFEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.7
Topological Polar Surface Area	73.91
Polarizability	26.36
Ring Count	3
Rotatable Bond Count	1

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