3-(azepane-1-sulfonyl)-N-(1,3-benzothiazol-2-yl)benzamide

3-(azepane-1-sulfonyl)-N-(1,3-benzothiazol-2-yl)benzamide

Formula: C20H21N3O3S2

SMILES: O=C(NC1=NC2=CC=CC=C2S1)C1=CC(=CC=C1)S(=O)(=O)N1CCCCCC1

IUPAC: 3-(azepane-1-sulfonyl)-N-(1,3-benzothiazol-2-yl)benzamide

InChI: InChI=1S/C20H21N3O3S2/c24-19(22-20-21-17-10-3-4-11-18(17)27-20)15-8-7-9-16(14-15)28(25,26)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,21,22,24)

Composition: C (57.81%), H (5.09%), N (10.11%), O (11.55%), S (15.43%)

Molar Mass: 415.53

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	415.102433896
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VUSOEUOYUTXRTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.83
Topological Polar Surface Area	79.37
Polarizability	43.83
Ring Count	4
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H21N3O3S2		Quote Only