4-({2-[(2-hydroxycyclohexyl)amino]-1,3-benzothiazol-6-yl}oxy)-N-methylpyridine-2-carboxamide hydrochloride

4-({2-[(2-hydroxycyclohexyl)amino]-1,3-benzothiazol-6-yl}oxy)-N-methylpyridine-2-carboxamide hydrochloride

Formula: C20H23ClN4O3S

SMILES: Cl.CNC(=O)C1=NC=CC(OC2=CC=C3N=C(NC4CCCCC4O)SC3=C2)=C1

IUPAC: 4-({2-[(2-hydroxycyclohexyl)amino]-1,3-benzothiazol-6-yl}oxy)-N-methylpyridine-2-carboxamide hydrochloride

InChI: InChI=1/C20H22N4O3S.ClH/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25;/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24);1H

Composition: C (55.23%), H (5.33%), Cl (8.15%), N (12.88%), O (11.04%), S (7.37%)

Molar Mass: 434.94

Atom Count: 52

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	434.1179395
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	IHWOVMRZEIHNGY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.86
Topological Polar Surface Area	96.37
Polarizability	41.8
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H23ClN4O3S		Quote Only