3-(1,2,3-benzothiadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(1,2,3-benzothiadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

CAS: 866156-78-7

Formula: C11H7N3O2S

SMILES: O=C1C2CC2C(=O)N1C1=CC=C2SN=NC2=C1

IUPAC: 3-(1,2,3-benzothiadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

InChI: InChI=1/C11H7N3O2S/c15-10-6-4-7(6)11(16)14(10)5-1-2-9-8(3-5)12-13-17-9/h1-3,6-7H,4H2

Composition: C (53.87%), H (2.88%), N (17.13%), O (13.05%), S (13.07%)

Molar Mass: 245.26

Atom Count: 24

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	245.025897651
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IZCBVASMTAFHAO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.86
Topological Polar Surface Area	63.16
Polarizability	23.85
Ring Count	4
Rotatable Bond Count	1

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